SCHEMBL8993560

SCHEMBL8993560

C[S+]([O-])c1ccc(C2=C(Br)CCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.34
PTGS1 P23219 6/20 0.33
MAPK14 Q16539 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
SCHEMBL5698516 0.80 PTGS2 (0.54) PTGS2PTGS1MAPK14
SCHEMBL6687073 0.79 PTGS2 (0.56) PTGS2PTGS1MAPK14
SCHEMBL5698535 0.76 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL5698458 0.75 PTGS2 (0.59) PTGS2PTGS1MAPK14
SCHEMBL8371975 0.72 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL5083262 0.71 MAPK14 (0.57) PTGS2PTGS1MAPK14
SCHEMBL17907429 0.71
SCHEMBL8652478 0.70 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8654430 0.70 FGF23 (0.46) PTGS2MAPK14
SCHEMBL5694272 0.69 PTGS2 (0.64) 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