SCHEMBL8993549

SCHEMBL8993549

NS(=O)(=O)c1ccc(C2=CCCC2)c(CF)c1CF

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.36
PTGS2 P35354 2/20 0.33
GRM2 Q14416 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
KIT P10721 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
SCHEMBL6733073 0.72 PTGES2 (0.49) PTGES2PTGS2GRM2
SCHEMBL8993537 0.65
SCHEMBL8993599 0.65 PTGS2 (0.49) PTGS2PDE3BPDE3AKIT
SCHEMBL30270503 0.62 PTGS2 (0.40) PTGS2PDE3BPDE3A
SCHEMBL10361729 0.60 PTGS2 (0.36) PTGES2PTGS2
SCHEMBL10758610 0.60 PTGS2 (0.47) PTGES2PTGS2GRM2
SCHEMBL16864072 0.59 PTGS2 (0.33) PTGS2
SCHEMBL7641695 0.59 PSMB5 (0.43) PTGS2GRM2
SCHEMBL10130412 0.58 CSF1R (0.43) GRM2
SCHEMBL28758944 0.58 PTGS2 (0.51) PTGS2GRM2

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 claimed
WO-1995011883-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-05-04 WO claimed