SCHEMBL9642891

SCHEMBL9642891

CCCOc1c(OCCC)c(OC(=O)CC)c2cc(Cl)ccc2c1OC(=O)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.50
DHODH Q02127 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 4/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
GLA P06280 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.34

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
SCHEMBL9643614 0.94 ABCB11 (0.45) ABCB11DHODHCYP1A2CYP2C9HIF1A
SCHEMBL9642038 0.94 ABCB11 (0.45) ABCB11DHODHCYP1A2CYP2C9HIF1A
SCHEMBL9642992 0.92 ABCB11 (0.43) ABCB11DHODHCYP1A2CYP2C9HIF1A
SCHEMBL9643050 0.92 ABCB11 (0.43) ABCB11DHODHCYP1A2CYP2C9HIF1A
SCHEMBL9642923 0.92 ABCB11 (0.43) ABCB11DHODHALDH1A1GAATDP1
SCHEMBL9643143 0.92 ABCB11 (0.43) ABCB11DHODHALDH1A1GAATDP1
SCHEMBL9449155 0.89 ABCB11 (0.52) ABCB11CYP1A2CYP2C9HIF1AALDH1A1
SCHEMBL9643609 0.89 ABCB11 (0.43) ABCB11DHODHCYP1A2CYP2C9HIF1A
SCHEMBL9642030 0.89 ABCB11 (0.43) ABCB11DHODHCYP1A2CYP2C9HIF1A
SCHEMBL9643666 0.87 ABCB11 (0.67) ABCB11DHODHCYP1A2CYP2C9HIF1A

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 8 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
US-4593120-A Naphthalene-1,4-dicarboxylic acid group SYNTEX (U.S.A.) INC. (US) 1986-06-03 US disclosed
EP-0107512-B1 1,4-ACYLOXYNAPHTHALENE DERIVATIVES, TOPICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR PREPARATION, AND INTERMEDIATES THEREFOR SYNTEX (U.S.A.) INC. (US) 1986-02-26 EP disclosed
US-4466981-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1984-08-21 US disclosed
EP-0107512-A1 1,4-Acyloxynaphthalene derivatives, topical compositions containing them, methods for their preparation, and intermediates therefor SYNTEX (U.S.A.) INC. (US) 1984-05-02 EP disclosed