SCHEMBL8035333

SCHEMBL8035333

COCc1cc(-n2nc(C(F)(F)F)cc2C2=CCCCC2)ccc1S(C)(=O)=O

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.60

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
SCHEMBL8037379 0.81 PTGS2 (0.60) PTGS2
SCHEMBL8039356 0.80 PTGS2 (0.70) PTGS2
SCHEMBL8033659 0.78 PTGS2 (0.63) PTGS2
SCHEMBL8037672 0.78 PTGS2 (0.67) PTGS2
SCHEMBL8023531 0.76 PTGS2 (0.63) PTGS2
SCHEMBL6352330 0.75 PTGS2 (1.00) PTGS2
SCHEMBL6516666 0.75 PTGS2 (0.61) PTGS2
SCHEMBL8023423 0.74 PTGS2 (0.68) PTGS2
SCHEMBL6168622 0.72 PTGS2 (0.61) PTGS2
SCHEMBL6013909 0.72 PTGS2 (0.93) PTGS2

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
WO-2000066562-A1 PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 WO claimed
WO-2000066562-A1 PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 WO disclosed