SCHEMBL7979331

SCHEMBL7979331

CCc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3F)C(C)OC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.42
PTGS1 P23219 4/20 0.37
GPR119 Q8TDV5 2/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
F10 P00742 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL27570466 0.90 PTGS2 (0.41) PTGS2PTGS1NR3C1PGRNR3C2
SCHEMBL6742689 0.89 PTGS2 (0.47) PTGS2PTGS1NR3C1PGRNR3C2
SCHEMBL6740283 0.88 PTGS2 (0.49) PTGS2PTGS1NR3C1PGRNR3C2
SCHEMBL6741606 0.85 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6742555 0.82 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6738511 0.76 PTGS2 (0.48) PTGS2PTGS1NR3C1PGRNR3C2
SCHEMBL27589146 0.76 NR3C1 (0.43) NR3C1PGRNR3C2
SCHEMBL27570465 0.74 NR3C1 (0.36) NR3C1PGRNR3C2
SCHEMBL21675747 0.71 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL27589143 0.70 GRM2 (0.38) PTGS2PTGS1NR3C1PGRNR3C2

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
WO-2001090097-A2 NOVEL COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-11-29 WO claimed