SCHEMBL8925255

SCHEMBL8925255

COCOc1ccc(-c2c(C(F)(F)F)n[nH]c2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.41
PTGS1 P23219 3/20 0.38
TEK Q02763 1/20 0.38
FYN P06241 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL6180483 0.81 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL5078441 0.81 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL8766048 0.81 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL4212020 0.80 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8925320 0.79 PTGS2 (0.47) PTGS2PTGS1PTGDR2
SCHEMBL8640384 0.77 PTGS2 (0.45) PTGS2PTGS1PTGDR2
SCHEMBL8926255 0.77 PSD (0.47) PTGS2
SCHEMBL8925536 0.76 PTGS2 (0.44) PTGS2PTGDR2
SCHEMBL8196932 0.75 HTT (0.41) PTGS2PTGS1
SCHEMBL8197054 0.73 ALDH1A1 (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670533-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIRHEUMATIC DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed