SCHEMBL9643123

SCHEMBL9643123

COc1c(OC)c(OC(C)=O)c2c([S+]([O-])c3ncc[nH]3)cccc2c1O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.34
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
CTSV O60911 1/20 0.32
ABCB11 O95342 1/20 0.31

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
SCHEMBL9642069 0.93 NLRP3 (0.36) NLRP3SLC22A6ABCB11
SCHEMBL9641728 0.92 NLRP3 (0.34) NLRP3PDE4APDE4BPDE4CPDE4D
SCHEMBL9644132 0.85 CCNB2 (0.32) NLRP3
SCHEMBL9643111 0.83 CCNB2 (0.32) NLRP3ABCB11
SCHEMBL9643872 0.81 NLRP3 (0.31) NLRP3
SCHEMBL9642608 0.81 NLRP3 (0.31) NLRP3
SCHEMBL9713743 0.81 MAPT (0.36) NLRP3SLC22A6CTSV
SCHEMBL9643011 0.80 NLRP3 (0.34) NLRP3PDE4APDE4BPDE4CPDE4D
SCHEMBL9642006 0.78 ABCB11 (0.39) NLRP3PDE4APDE4BPDE4CPDE4D
SCHEMBL9642388 0.78 PDE4A (0.38) NLRP3PDE4APDE4BPDE4CPDE4D

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