SCHEMBL9879557

SCHEMBL9879557

CCN(CC(O)CS(=O)(=O)[O-])c1cccc(OC)c1.[Na+]

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 1/20 0.37
ESR1 P03372 1/20 0.48
PER2 O15055 1/20 0.44
CRY1 Q16526 1/20 0.44
CRY2 Q49AN0 1/20 0.44
CETP P11597 2/20 0.40
MTNR1A P48039 6/20 0.40
MTNR1B P49286 6/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AOC3 Q16853 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30096475 1.00 ESR1 (0.48) ESR1PER2CRY1CRY2CETP
Water SCHEMBL31143099 0.99 ESR1 (0.47) ESR1PER2CRY1CRY2CETP
SCHEMBL5523398 0.88 ESR1 (0.46) ESR1PER2CRY1CRY2CETP
SCHEMBL242597 0.88 ESR1 (0.47) ESR1PER2CRY1CRY2CETP
SCHEMBL2812724 0.88 ESR1 (0.36) ESR1PER2CRY1CRY2LMNA
SCHEMBL31314973 0.88 ESR1 (0.36) ESR1PER2CRY1CRY2LMNA
SCHEMBL9879559 0.87 ESR1 (0.46) ESR1PER2CRY1CRY2CETP
SCHEMBL17685583 0.87 ESR1 (0.49) ESR1PER2CRY1CRY2CETP
Water SCHEMBL20853622 0.86 ESR1 (0.46) ESR1PER2CRY1CRY2CETP
SCHEMBL5523393 0.86 ESR1 (0.46) ESR1PER2CRY1CRY2CETP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114774511-B Reaction liquid for detecting magnesium ions in blood sample, dry test paper and preparation method thereof 广州万德康科技有限公司 2024-05-10 CN claimed
CN-116223822-A Dry chemical test card for simultaneously detecting blood fat and blood sugar and preparation method thereof 江苏康尚生物医疗科技有限公司 2023-06-06 CN claimed
WO-2023061471-A1 TEAR GLUCOSE TEST DEVICE AND PRODUCTION PROCESS THEREFOR 上海微银生物技术有限公司 2023-04-20 WO claimed
CN-113791067-A Tear sugar detection device and production process thereof 上海微银生物技术有限公司 2021-12-14 CN claimed
US-9897920-B2 Sensor for detecting saccharide and manufacturing method thereof and detection method of glycated hemoglobin using the same LG ELECTRONICS INC. (KR) 2018-02-20 US claimed
US-20160109370-A1 SENSOR FOR DETECTING SACCHARIDE AND MANUFACTURING METHOD THEREOF AND DETECTION METHOD OF GLYCATED HEMOGLOBIN USING THE SAME LG ELECTRONICS INC. (KR) 2016-04-21 US claimed
JP-1148198-A None JP disclosed
CN-114774511-B Reaction liquid for detecting magnesium ions in blood sample, dry test paper and preparation method thereof 广州万德康科技有限公司 2024-05-10 CN disclosed
CN-116223822-A Dry chemical test card for simultaneously detecting blood fat and blood sugar and preparation method thereof 江苏康尚生物医疗科技有限公司 2023-06-06 CN disclosed
WO-2023061471-A1 TEAR GLUCOSE TEST DEVICE AND PRODUCTION PROCESS THEREFOR 上海微银生物技术有限公司 2023-04-20 WO disclosed
CN-216978839-U Tear sugar detection device 上海微银生物技术有限公司 2022-07-15 CN disclosed
CN-113791067-A Tear sugar detection device and production process thereof 上海微银生物技术有限公司 2021-12-14 CN disclosed
CN-108333175-B Total cholesterol detection method 青岛汉唐生物科技有限公司 2021-06-29 CN disclosed
CN-111808921-A Trinder reaction-based detection kit and application thereof 武汉生之源生物科技股份有限公司 2020-10-23 CN disclosed
CN-211505193-U Transparent paper-based ultraviolet-visible light absorption measuring device 南京工业大学 2020-09-15 CN disclosed
CN-110296946-A Transparent paper-based ultraviolet-visible light absorption measuring device and paper-based analysis method 南京工业大学 2019-10-01 CN disclosed
US-9897920-B2 Sensor for detecting saccharide and manufacturing method thereof and detection method of glycated hemoglobin using the same LG ELECTRONICS INC. (KR) 2018-02-20 US disclosed
US-20160109370-A1 SENSOR FOR DETECTING SACCHARIDE AND MANUFACTURING METHOD THEREOF AND DETECTION METHOD OF GLYCATED HEMOGLOBIN USING THE SAME LG ELECTRONICS INC. (KR) 2016-04-21 US disclosed
US-5047329-A Method for the measurement of creatine or creatinine and reagents for these measurements NODA INSTITUTE FOR SCIENTIFIC RESEARCH (JP) 1991-09-10 US disclosed
JP-H01148198-A DETERMINATION OF SARCOSINE TOYO JOZO CO LTD 1989-06-09 JP disclosed