SCHEMBL9643111

SCHEMBL9643111

CCCCCOc1c(OC)c(OC)c(OC(C)=O)c2cccc([S+]([O-])c3ncc[nH]3)c12

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.32
CCNE2 O96020 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
NLRP3 Q96P20 1/20 0.32
KCNA3 P22001 4/20 0.31
ABCB11 O95342 1/20 0.30
ALOX5 P09917 1/20 0.30
MMP2 P08253 1/20 0.30

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
SCHEMBL9644132 0.96 CCNB2 (0.32) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL9642069 0.90 NLRP3 (0.36) NLRP3ABCB11
SCHEMBL9643872 0.87 NLRP3 (0.31) NLRP3
SCHEMBL9642608 0.87 NLRP3 (0.31) NLRP3
SCHEMBL9641728 0.85 NLRP3 (0.34) NLRP3ABCB11
SCHEMBL9643123 0.83 NLRP3 (0.34) NLRP3ABCB11
SCHEMBL9643450 0.80 ABCB11 (0.41) ABCB11ALOX5
SCHEMBL10706882 0.80 NLRP3 (0.35) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL9713743 0.79 MAPT (0.36) NLRP3
SCHEMBL9642886 0.77 ABCB11 (0.39) ABCB11ALOX5

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