SCHEMBL8548523

SCHEMBL8548523

CS(=O)(=O)c1ccc(-c2ccc(F)cc2)c(O)c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.65
PTGS1 P23219 3/20 0.52
KDM4E B2RXH2 1/20 0.52
MT-CO1 P00395 1/20 0.52
MT-CO2 P00403 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL8797719 0.81 PTGS2 (0.63) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL1812902 0.81 PTGS2 (0.58) PTGS2
SCHEMBL7452447 0.79 PTGS2 (0.59) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL4214071 0.79 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL6724238 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL387063 0.79 ENPP2 (0.61) PTGS2
SCHEMBL386705 0.78 ENPP2 (0.55) PTGS2CYP3A4CYP2C9CYP2C19
SCHEMBL4938374 0.77 SLC6A4 (0.58) PTGS2PTGS1KDM4ECYP1A2CYP2C9
SCHEMBL27362321 0.77 PTGS2 (0.54) PTGS2
SCHEMBL13448493 0.77 PTGS2 (0.72) 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 1 patent. 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