SCHEMBL8974705

SCHEMBL8974705

COC(=O)C1C=C(c2ccc(S(C)(=O)=O)cc2)C(c2ccc(F)cn2)=C1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.41
PTGS1 P23219 3/20 0.39
KDR P35968 1/20 0.37
MAPK14 Q16539 1/20 0.37
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL8974427 0.93 PTGDR2 (0.39) PTGS2PTGS1
SCHEMBL8974507 0.91 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL8973806 0.87 PTGS2 (0.43) PTGS2PTGS1KDRMAPK14GPR119
SCHEMBL8974558 0.87 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8974416 0.87 CA2 (0.41) PTGS2PTGS1
SCHEMBL8974486 0.86 PTGS2 (0.42) PTGS2PTGS1GPR119
SCHEMBL8974718 0.84 PTGS2 (0.39) PTGS2PTGS1GPR119
SCHEMBL8974225 0.82 PTGS2 (0.46) PTGS2PTGS1KDRMAPK14GPR119
SCHEMBL8974772 0.82 PTGS2 (0.46) PTGS2PTGS1KDRMAPK14GPR119
SCHEMBL8974518 0.81 PTGS2 (0.44) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5576339-A Pyridyl substituted cyclopentadienes for the treatment of inflamation HUANG HORNG-CHIH (US) 1996-11-19 US disclosed
US-5418254-A Side effect reduction G. D. SEARLE & CO. (US) 1995-05-23 US disclosed