SCHEMBL8553156

SCHEMBL8553156

CS(=O)(=O)c1ccc(-c2oc(-c3ccccc3)nc2-c2ccc(F)cc2)cc1.CS(=O)(=O)c1ccc(-c2oc(-c3ccccc3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.68
PTGS1 P23219 3/20 0.68
FAAH O00519 2/20 0.57
KCNH2 Q12809 2/20 0.57
USP1 O94782 1/20 0.53
USP19 O94966 1/20 0.53
UCHL3 P15374 1/20 0.53
MAPK14 Q16539 3/20 0.53
MAPK11 Q15759 2/20 0.52
MAPK13 O15264 1/20 0.52
GCGR P47871 1/20 0.52
MAPK12 P53778 1/20 0.52
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 1/20 0.49
ALOX5 P09917 1/20 0.49
CSNK1A1 P48729 1/20 0.49
CSNK1D P48730 1/20 0.49

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
SCHEMBL7504194 1.00 PTGS2 (0.68) PTGS2PTGS1FAAHKCNH2USP1
SCHEMBL213979 1.00 PTGS2 (0.68) PTGS2PTGS1FAAHKCNH2USP1
SCHEMBL5698709 0.95 PTGS2 (0.75) PTGS2PTGS1FAAHKCNH2USP1
SCHEMBL7505884 0.87 PTGS2 (0.67) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL7506192 0.87 PTGS2 (0.67) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL9113400 0.86 MAPK14 (0.61) PTGS2PTGS1USP1USP19UCHL3
SCHEMBL7503544 0.81 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL7503718 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL216233 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL19953600 0.81 PTGS2 (0.75) PTGS2PTGS1

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
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed