SCHEMBL8419780

SCHEMBL8419780

CCCCOc1nc(-c2cccc(OC)c2)cc(-c2ccccc2S(N)(=O)=O)c1CO

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.41
F10 P00742 4/20 0.41
GCGR P47871 1/20 0.41
LTB4R Q15722 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGES2 Q9H7Z7 2/20 0.39
TLR8 Q9NR97 1/20 0.39
TOP1 P11387 1/20 0.39
PTGS2 P35354 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
MAOB P27338 1/20 0.38
DHPS P49366 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
SQOR Q9Y6N5 1/20 0.37

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
SCHEMBL8423417 0.89 PTGS2 (0.39) DHODHF10PTGES2TLR8PTGS2
SCHEMBL8419783 0.87 CA2 (0.47) DHODHGCGRTLR8PTGS2CA1
SCHEMBL8423492 0.86 PTGS2 (0.38) DHODHF10PTGES2PTGS2MKNK2
SCHEMBL8419433 0.85 PTGS2 (0.47) F10PTGS2
SCHEMBL8419782 0.85 PTGS2 (0.47) F10PTGS2
SCHEMBL8419905 0.85 PTGS2 (0.40) F10LTB4RPTGS2CA2CA9
SCHEMBL8421107 0.84 PTGS2 (0.47) F10LTB4RPTGS2CA9SQOR
SCHEMBL8421300 0.83 PTGS2 (0.39) F10PTGS2
SCHEMBL8419967 0.77 F10 (0.39) F10PTGES2PTGS2SQOR
SCHEMBL8421041 0.77 F10 (0.38) F10PTGES2CA2CA9SQOR

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