SCHEMBL8419782

SCHEMBL8419782

CCCCOc1nc(-c2ccc(OC)c(F)c2)cc(-c2ccccc2S(N)(=O)=O)c1CO

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.47
PTGS1 P23219 7/20 0.47
ALOX5AP P20292 7/20 0.39
FEN1 P39748 7/20 0.39
SGK1 O00141 2/20 0.38
F10 P00742 2/20 0.38

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
SCHEMBL8419433 0.90 PTGS2 (0.47) PTGS2PTGS1SGK1F10
SCHEMBL8419785 0.88 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL8421107 0.87 PTGS2 (0.47) PTGS2PTGS1ALOX5APFEN1SGK1
SCHEMBL8419780 0.85 DHODH (0.41) PTGS2F10
SCHEMBL8419905 0.85 PTGS2 (0.40) PTGS2PTGS1ALOX5APFEN1SGK1
SCHEMBL8423417 0.83 PTGS2 (0.39) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8421300 0.82 PTGS2 (0.39) PTGS2PTGS1SGK1F10
SCHEMBL8423492 0.81 PTGS2 (0.38) PTGS2PTGS1ALOX5APFEN1SGK1
SCHEMBL8419446 0.79 ALOX5AP (0.40) PTGS2PTGS1ALOX5APFEN1F10
SCHEMBL8423260 0.77 SGK1 (0.42) PTGS2PTGS1ALOX5APFEN1SGK1

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
US-5916905-A ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS G. D. SEARLE & CO. (US) 1999-06-29 US disclosed
US-5686470-A 2, 3-substituted pyridines for the treatment of inflammation WEIER RICHARD M (US) 1997-11-11 US disclosed