SCHEMBL7501065

SCHEMBL7501065

NS(=O)(=O)c1ccc(-c2oc(CCCC(=O)O)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.63
RXRB P28702 12/20 0.63
RXRG P48443 9/20 0.63
NR4A2 P43354 5/20 0.63
PTGS2 P35354 6/20 0.58
PTGS1 P23219 4/20 0.58
EPHX2 P34913 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ABCC4 O15439 1/20 0.53
C5 P01031 1/20 0.53
LMNA P02545 1/20 0.53
CHRM2 P08172 1/20 0.53
CYP3A4 P08684 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD2 P14416 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
TBXA2R P21731 1/20 0.53
NR4A1 P22736 1/20 0.53
HTR2A P28223 1/20 0.53

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
SCHEMBL8551427 0.97 RXRA (0.64) RXRARXRBRXRGNR4A2PTGS2
SCHEMBL8552403 0.97 RXRA (0.64) RXRARXRBRXRGNR4A2PTGS2
SCHEMBL7504414 0.93 RXRA (0.62) RXRARXRBRXRGNR4A2PTGS2
SCHEMBL7505178 0.93 RXRA (0.62) RXRARXRBRXRGNR4A2PTGS2
SCHEMBL5733196 0.91 RXRA (0.77) RXRARXRBRXRGNR4A2PTGS2
SCHEMBL5733040 0.91 RXRA (0.77) RXRARXRBRXRGNR4A2PTGS2
SCHEMBL5732600 0.89 RXRA (0.63) RXRARXRBRXRGNR4A2PTGS2
SCHEMBL8547300 0.88 RXRA (0.78) RXRARXRBRXRGNR4A2PTGS2
SCHEMBL7501578 0.88 PTGS2 (0.56) RXRARXRBRXRGNR4A2PTGS2
SCHEMBL8550151 0.87 RXRA (0.76) RXRARXRBRXRGNR4A2PTGS2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699192-B1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-07-24 EP claimed
EP-0699192-B1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-07-24 EP disclosed
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP disclosed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO disclosed