SCHEMBL8610261

SCHEMBL8610261

Cc1ccc2c(c1)cc(-c1ccc(S(C)(=O)=O)cc1)n2-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.58
PTGS1 P23219 2/20 0.51

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
SCHEMBL8611940 0.91 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8303948 0.87 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL8446855 0.86 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL8310335 0.86 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL28261128 0.85 APP (0.50)
SCHEMBL3000770 0.81 HAO1 (0.56) PTGS2PTGS1
SCHEMBL12345585 0.77 ALDH1A1 (0.54) PTGS2
SCHEMBL8308253 0.77 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8308575 0.77 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL13707395 0.76 APP (0.56) 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