SCHEMBL8631499

SCHEMBL8631499

Cc1cc(F)ccc1-c1c[nH]nc1-c1ccccc1S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FABP1 P07148 1/20 0.41
ALOX5AP P20292 7/20 0.40
FEN1 P39748 7/20 0.40
TRPV1 Q8NER1 1/20 0.36
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
ENPP3 O14638 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34

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
SCHEMBL8627988 0.88 CA2 (0.38) ALOX5APFEN1CA2CA1CA12
SCHEMBL8627632 0.86 CA1 (0.42) CA2CA1CA12CA9
SCHEMBL8632667 0.86 CA4 (0.40) ALOX5APFEN1CA2CA1PTGES2
SCHEMBL7773297 0.82 MAP2K7 (0.52) CA2CA1CA12CA9
SCHEMBL8631181 0.81 PTGS2 (0.50) ALOX5APFEN1TRPV1CA9
SCHEMBL8629397 0.81 ALOX5AP (0.40) ALOX5APFEN1CA2CA1PTGES2
SCHEMBL8629486 0.81 ALOX5AP (0.44) ALOX5APFEN1TRPV1CA2PTGES2
SCHEMBL8632812 0.80 ALOX5AP (0.47) ALOX5APFEN1TRPV1
SCHEMBL8630031 0.78 PTGS2 (0.41) ALOX5APFEN1TRPV1CA2CA1
SCHEMBL8629939 0.77 MAPT (0.47) FABP1ALOX5APFEN1CA2CA1

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-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed