SCHEMBL8645697

SCHEMBL8645697

COc1ccc(-c2c3cccccc-3cc2-c2ccc(S(C)(=O)=O)cc2)cc1Cl

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.79
PTGS1 P23219 4/20 0.62

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
SCHEMBL8648054 0.89 PTGS2 (0.62) PTGS2
SCHEMBL6724132 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8649512 0.86 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8651908 0.84 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL8646666 0.83 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL8615189 0.82 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8652041 0.81 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL8650149 0.81 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL8645444 0.81 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8644362 0.81 PTGS2 (0.69) PTGS2

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-5843999-A 2-phenylazulene derivatives and a manufacturing method of these compounds KOTOBUKI SEIYAKU CO., LTD. (JP) 1998-12-01 US disclosed