SCHEMBL9641979

SCHEMBL9641979

CCC(=O)Oc1c(OC)c(OC)c(OC(C)=O)c2ccc(Cl)cc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.81
ALOX15 P16050 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HTT P42858 3/20 0.35
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 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
SCHEMBL9643774 1.00 ABCB11 (0.81) ABCB11ALOX15CYP1A2CYP2C9HIF1A
SCHEMBL9644133 0.94 ABCB11 (0.70) ABCB11ALOX15CYP1A2CYP2C9HIF1A
SCHEMBL9642288 0.93 ABCB11 (0.68) ABCB11ALOX15CYP1A2CYP2C9HIF1A
SCHEMBL9642820 0.93 ABCB11 (0.68) ABCB11ALOX15CYP1A2CYP2C9HIF1A
Lonapalene SCHEMBL120134 0.90 ABCB11 (1.00) ABCB11CYP1A2CYP2C9HPGDKDM4E
SCHEMBL9642681 0.89 ABCB11 (0.97) ABCB11CYP1A2CYP2C9HPGDKDM4E
SCHEMBL9641851 0.89 ABCB11 (0.97) ABCB11CYP1A2CYP2C9HPGDKDM4E
SCHEMBL9642632 0.86 ABCB11 (0.59) ABCB11ALOX15CYP1A2CYP2C9HIF1A
SCHEMBL9642650 0.86 ABCB11 (0.59) ABCB11ALOX15CYP1A2CYP2C9HIF1A
SCHEMBL9713746 0.86 ABCB11 (0.59) ABCB11ALOX15CYP1A2CYP2C9HIF1A

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