SCHEMBL28398335

SCHEMBL28398335

O=C(O)c1ccc(C(=O)O)c2cc(S(=O)(=O)[O-])ccc12.[Na+]

nearest known ligand 0.41

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
▸ LMNA P02545 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ACE2 Q9BYF1 2/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ PRMT1 Q99873 1/20 0.39
▸ PTPN1 P18031 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ CTDSP1 Q9GZU7 2/20 0.37
▸ DUSP5 Q16690 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ APOBEC3A P31941 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ APEX1 P27695 2/20 0.36

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
SCHEMBL11336339 0.83 ALDH1A1 (0.58) LMNATDP1KDM4EALDH1A1HPGD
SCHEMBL31030047 0.83 ALDH1A1 (0.58) LMNATDP1KDM4EALDH1A1HPGD
SCHEMBL27373563 0.82 POLB (0.50) LMNATDP1KDM4EALDH1A1HPGD
SCHEMBL11330088 0.81 LMNA (0.59) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28261137 0.81 ALDH1A1 (0.56) LMNATDP1KDM4EALDH1A1HPGD
Oxalic Acid SCHEMBL28092774 0.79 POLB (0.47) LMNATDP1KDM4EALDH1A1HPGD
Potassium Ion SCHEMBL9008003 0.79 POLB (0.50) LMNATDP1KDM4EALDH1A1HPGD
Sulfosalicylic SCHEMBL28064336 0.76 ALDH1A1 (0.68) TDP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28031250 0.72 DUSP5 (0.48) LMNATDP1ALDH1A1HPGDSIRT1
SCHEMBL7495328 0.72 CYP1A2 (0.58) KDM4EALDH1A1HPGDHSD17B10ACE2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118040228-A Composite diaphragm for lithium ion battery 浙江中科玖源新材料有限公司 2024-05-14 — — CN claimed
CN-118017146-A Battery separator of polyamide-imide composite modified polyolefin and application thereof 浙江中科玖源新材料有限公司 2024-05-10 — — CN claimed
CN-117996348-A Battery diaphragm of composite polyamide imide and application of battery diaphragm in lithium battery 浙江中科玖源新材料有限公司 2024-05-07 — — CN claimed
CN-117843956-A Polyimide resin for high-adhesion anode electrophoretic paint 浙江中科玖源新材料有限公司 2024-04-09 — — CN claimed
CN-111073018-B PBT/fluorine film composite film and production process thereof 苏州市新广益电子有限公司 2021-02-09 — — CN claimed
CN-111073018-A PBT/fluorine film composite film and production process thereof 苏州市新广益电子有限公司 2020-04-28 — — CN claimed
CN-118040228-A Composite diaphragm for lithium ion battery 浙江中科玖源新材料有限公司 2024-05-14 — — CN disclosed
CN-118017146-A Battery separator of polyamide-imide composite modified polyolefin and application thereof 浙江中科玖源新材料有限公司 2024-05-10 — — CN disclosed
CN-117996348-A Battery diaphragm of composite polyamide imide and application of battery diaphragm in lithium battery 浙江中科玖源新材料有限公司 2024-05-07 — — CN disclosed
CN-117843955-A Polyimide resin and anode electrophoretic paint containing same 浙江中科玖源新材料有限公司 2024-04-09 — — CN disclosed
CN-117843956-A Polyimide resin for high-adhesion anode electrophoretic paint 浙江中科玖源新材料有限公司 2024-04-09 — — CN disclosed
CN-111073018-B PBT/fluorine film composite film and production process thereof 苏州市新广益电子有限公司 2021-02-09 — — CN disclosed
CN-111073018-A PBT/fluorine film composite film and production process thereof 苏州市新广益电子有限公司 2020-04-28 — — CN disclosed
Send feedback