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SCHEMBL8634273

SCHEMBL8634273

CCn1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccc(OC)c(F)c2)c1CO

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 13/20 0.49
▸ PTGS1 P23219 8/20 0.49
▸ F10 P00742 6/20 0.41
▸ ALOX5AP P20292 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ F2 P00734 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL8632912 0.90 PTGS2 (0.47) PTGS2PTGS1F10ALOX5APFEN1
SCHEMBL8631949 0.90 PTGS2 (0.46) PTGS2PTGS1F10ALOX5APFEN1
SCHEMBL8632921 0.89 PTGS2 (0.46) PTGS2PTGS1F10
SCHEMBL8630470 0.88 PTGS2 (0.49) PTGS2PTGS1F10ALOX5APFEN1
SCHEMBL8634372 0.87 PTGS2 (0.43) PTGS2PTGS1F10F2ABCB11
SCHEMBL8631748 0.85 PTGS2 (0.51) PTGS2PTGS1F10F2ABCB11
SCHEMBL8631453 0.85 PTGS2 (0.47) PTGS2PTGS1F10ALOX5APFEN1
SCHEMBL8628872 0.85 PTGS2 (0.47) PTGS2PTGS1F10ALOX5APFEN1
SCHEMBL7778061 0.85 PTGS2 (0.54) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL8635602 0.85 PTGS2 (0.46) PTGS2PTGS1F10ABCB11ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 — — US disclosed