SCHEMBL9643162

SCHEMBL9643162

COC(=O)C[S+]([O-])c1cccc2c(OCC(C)C)c(OC)c(OC)c(OC(C)=O)c12

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.31
NLRP3 Q96P20 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL9642780 0.96 ABCB11 (0.33) ABCB11NLRP3PDE4APDE4BPDE4C
SCHEMBL9644115 0.90 ABCB11 (0.39) ABCB11NLRP3PDE4APDE4BPDE4C
SCHEMBL9642053 0.84 PDE4A (0.35) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9643056 0.82 ABCB11 (0.36) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9642699 0.81 ABCB11 (0.33) ABCB11
SCHEMBL9641896 0.81 ABCB11 (0.33) ABCB11
SCHEMBL9713799 0.77 ALDH1A1 (0.36)
SCHEMBL9642964 0.73 ABCB11 (0.38) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL10783120 0.72 CTSV (0.33)
SCHEMBL9642181 0.72 PDE4A (0.34) ABCB11PDE4APDE4BPDE4CPDE4D

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