SCHEMBL9643126

SCHEMBL9643126

CCCCCOc1c(OC)c(OC)c(OC(C)=O)c2cc([S+]([O-])c3ccccc3Cl)ccc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.46
CNR2 P34972 3/20 0.35
ALOX5 P09917 2/20 0.33
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
PTGS2 P35354 3/20 0.32

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
SCHEMBL9642904 1.00 ABCB11 (0.46) ABCB11CNR2ALOX5CCNB2CCNE2
SCHEMBL9642926 0.89 ABCB11 (0.56) ABCB11
SCHEMBL9642910 0.84 ABCB11 (0.45) ABCB11CCNB2CCNE2CDK1CCNB1
SCHEMBL9643132 0.84 ABCB11 (0.45) ABCB11CCNB2CCNE2CDK1CCNB1
SCHEMBL9642634 0.84 ABCB11 (0.39) ABCB11ALOX5PTGS2
SCHEMBL9643864 0.84 ABCB11 (0.39) ABCB11ALOX5PTGS2
SCHEMBL9642065 0.83 ABCB11 (0.49) ABCB11
SCHEMBL9641772 0.83 ABCB11 (0.49) ABCB11
SCHEMBL9642747 0.82 ABCB11 (0.43) ABCB11
SCHEMBL9641720 0.82 ABCB11 (0.43) ABCB11

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