SCHEMBL8419905

SCHEMBL8419905

CCCCOc1nc(-c2ccc(C)cc2)cc(-c2ccccc2S(N)(=O)=O)c1CO

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.40
PTGS1 P23219 3/20 0.39
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SGK1 O00141 2/20 0.38
F10 P00742 3/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
MAPT P10636 1/20 0.36
LTB4R Q15722 1/20 0.36
GAA P10253 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
SCHEMBL8421107 0.91 PTGS2 (0.47) PTGS2PTGS1CA9SGK1F10
SCHEMBL8423417 0.90 PTGS2 (0.39) PTGS2PTGS1F10ALOX5APFEN1
SCHEMBL8421300 0.90 PTGS2 (0.39) PTGS2PTGS1SGK1F10TRPV1
SCHEMBL8419909 0.86 PTGS2 (0.46) PTGS2PTGS1CA2CA9
SCHEMBL8419780 0.85 DHODH (0.41) PTGS2CA2CA9F10LTB4R
SCHEMBL8419433 0.85 PTGS2 (0.47) PTGS2PTGS1SGK1F10
SCHEMBL8419782 0.85 PTGS2 (0.47) PTGS2PTGS1SGK1F10ALOX5AP
SCHEMBL8423492 0.84 PTGS2 (0.38) PTGS2PTGS1SGK1F10ALOX5AP
SCHEMBL8423196 0.80 SGK1 (0.42) PTGS2PTGS1CA9SGK1F10
SCHEMBL8423260 0.80 SGK1 (0.42) PTGS2PTGS1CA9SGK1F10

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