SCHEMBL5523398

SCHEMBL5523398

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

nearest known ligand 0.46

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 0.46
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
SCHEMBL242597 0.98 ESR1 (0.47) ESR1PER2CRY1CRY2CETP
SCHEMBL17685583 0.96 ESR1 (0.49) ESR1PER2CRY1CRY2CETP
SCHEMBL9879559 0.96 ESR1 (0.46) ESR1PER2CRY1CRY2CETP
SCHEMBL5523393 0.95 ESR1 (0.46) ESR1PER2CRY1CRY2CETP
Water SCHEMBL20853622 0.95 ESR1 (0.46) ESR1PER2CRY1CRY2CETP
SCHEMBL2847553 0.94 PER2 (0.46) ESR1PER2CRY1CRY2CETP
SCHEMBL30096475 0.88 ESR1 (0.48) ESR1PER2CRY1CRY2CETP
SCHEMBL9879557 0.88 ESR1 (0.48) ESR1PER2CRY1CRY2CETP
SCHEMBL5526598 0.88 MAPT (0.34) ESR1PER2CRY1CRY2LMNA
Water SCHEMBL31143099 0.87 ESR1 (0.47) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101948906-B Reagent with protease reaction promoter and/or pigment stabilizing agent ASAHI KASEI PHARMA CORP 2013-02-27 CN disclosed
CN-101948906-A The reagent that contains protease reaction promoter and/or colorant stabilizer ASAHI KASEI PHARMA CORP 2011-01-19 CN disclosed
CN-101023168-B Reagent containing protease reaction promoter and/or pigment stabilizer ASAHI KASEI PHARMA CORP 2010-10-13 CN disclosed
US-20070224685-A1 Reagent Containing Protease Reaction Promoter and/or Colorant Stabilizer ASAHI KASEI PHARMA CORPORATION (JP) 2007-09-27 US disclosed
CN-101023168-A Reagent containing protease reaction promoter and/or pigment stabilizer ASAHI KASEI PHARMA CORP (JP) 2007-08-22 CN disclosed
EP-1788081-A1 REAGENT CONTAINING PROTEASE REACTION PROMOTER AND/OR COLORANT STABILIZER Asahi Kasei Pharma Corporation (JP) 2007-05-23 EP disclosed