SCHEMBL9643286

SCHEMBL9643286

CCOc1c(OCC)c(OC(=O)CC)c2ccc(Cl)cc2c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.45
HPGD P15428 3/20 0.38
TSHR P16473 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 2/20 0.36
GAA P10253 3/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
ALOX15 P16050 2/20 0.35
USP2 O75604 2/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL9642645 0.95 ABCB11 (0.45) ABCB11HPGDTSHRCYP1A2CYP2C9
SCHEMBL9449155 0.92 ABCB11 (0.52) ABCB11HPGDTSHRCYP1A2CYP2C9
SCHEMBL9642992 0.90 ABCB11 (0.43) ABCB11HPGDCYP1A2CYP2C9HIF1A
SCHEMBL9643229 0.88 ABCB11 (0.59) ABCB11HPGDTSHRALDH1A1GAA
SCHEMBL9642650 0.85 ABCB11 (0.59) ABCB11HPGDCYP1A2CYP2C9HIF1A
SCHEMBL9642151 0.85 ABCB11 (0.43) ABCB11HPGDTSHRCYP1A2ALDH1A1
SCHEMBL9642813 0.85 ABCB11 (0.43) ABCB11HPGDTSHRCYP1A2ALDH1A1
SCHEMBL9643050 0.85 ABCB11 (0.43) ABCB11HPGDCYP1A2CYP2C9HIF1A
Propionic Acid SCHEMBL9449159 0.83 ALDH1A1 (0.41) ABCB11HPGDTSHRALDH1A1GAA
SCHEMBL9657735 0.83 TSHR (0.43) ABCB11HPGDTSHRCYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215622-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS AND PROCESS FOR MAKING THEM SYNTEX (U.S.A.) INC. (US) 1992-06-17 EP disclosed
US-4946845-A STABLE ANTIINFLAMMATORY AGENTS, LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1990-08-07 US disclosed
US-4792556-A LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
EP-0215622-A2 Naphthalene anti-psoriatic agents and process for making them SYNTEX (U.S.A.) INC. (US) 1987-03-25 EP disclosed