SCHEMBL32679596

SCHEMBL32679596

O=C(O)COc1cc(OCC(=O)O)cc(S(=O)(=O)[O-])c1.[Na+]

nearest known ligand 0.56

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
ALDH1A1 P00352 1/20 0.56
ALOX15 P16050 2/20 0.46
LMNA P02545 1/20 0.45
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
PTPN7 P35236 1/20 0.42
HPGD P15428 1/20 0.41
PTPRB P23467 1/20 0.41
IDO1 P14902 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
MCL1 Q07820 1/20 0.39
CD69 Q07108 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FFAR1 O14842 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39

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
Lithium Ion SCHEMBL32679595 0.96 ALDH1A1 (0.56) ALDH1A1ALOX15LMNAHSD17B10TSHR
Potassium Ion SCHEMBL32679589 0.96 ALDH1A1 (0.56) ALDH1A1ALOX15LMNAHSD17B10TSHR
SCHEMBL10824844 0.86 ALDH1A1 (0.40) ALDH1A1LMNA
SCHEMBL1040366 0.84 ALDH1A1 (0.73) ALDH1A1ALOX15HSD17B10TSHRPTPN7
SCHEMBL6419155 0.81 ALDH1A1 (0.55) ALDH1A1ALOX15LMNAHSD17B10TSHR
SCHEMBL9357933 0.81 ALDH1A1 (0.41) ALDH1A1LMNATSHRMAPTL3MBTL1
SCHEMBL28645298 0.80 ALOX15 (0.65) ALDH1A1ALOX15LMNAHSD17B10TSHR
SCHEMBL10824843 0.80 ALDH1A1 (0.53) ALDH1A1ALOX15LMNAHSD17B10TSHR
Tetraphenylphosphonium SCHEMBL6733327 0.74 ALOX15 (0.49) ALDH1A1ALOX15LMNAPTPN7PSEN1
SCHEMBL29143654 0.73 ALDH1A1 (0.54) ALDH1A1ALOX15LMNAHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121586791-A Mole yarn, textile, and apparel product 帝人富瑞特株式会社 2026-02-27 CN disclosed