SCHEMBL8610115

SCHEMBL8610115

Cc1c(-c2ccc(S(C)(=O)=O)cc2)[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.69
AHR P35869 1/20 0.50

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
SCHEMBL11119623 0.86 PTGS2 (0.52) PTGS2
SCHEMBL6342283 0.82 PTGS2 (1.00) PTGS2
SCHEMBL6350326 0.81 PTGS2 (1.00) PTGS2
SCHEMBL6351573 0.81 PTGS2 (1.00) PTGS2
SCHEMBL27549070 0.79 CYP11B1 (0.57) PTGS2AHR
SCHEMBL6353066 0.79 PTGS2 (1.00) PTGS2
SCHEMBL1260425 0.79 CYP11B1 (0.66) PTGS2AHR
SCHEMBL6342907 0.78 PTGS2 (1.00) PTGS2
SCHEMBL6354448 0.78 PTGS2 (1.00) PTGS2
SCHEMBL3244795 0.78 PTGS2 (1.00) 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-5723485-A ANALGESIC, ANTIINFLAMMATORY AGENTS LABORATORIES UPSA (FR) 1998-03-03 US disclosed