SCHEMBL8993552

SCHEMBL8993552

CC1(C)CC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccccc2F)C1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.69
PTGS1 P23219 7/20 0.69

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
SCHEMBL214775 0.82 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL9206986 0.78 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL1930784 0.76 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8652951 0.76 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8652600 0.75 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8654925 0.75 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8384098 0.75 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7515254 0.73 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL3247814 0.73 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL8652643 0.72 PTGS2 (0.65) 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
EP-0724566-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-07 EP disclosed
WO-1995011883-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-05-04 WO disclosed