SCHEMBL8551829

SCHEMBL8551829

NS(=O)(=O)c1ccccc1-c1oc(CCCC(=O)O)nc1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 18/20 0.68
RXRB P28702 17/20 0.68
RXRG P48443 10/20 0.68
NR4A2 P43354 7/20 0.68
PTGS1 P23219 2/20 0.57
EPHX2 P34913 2/20 0.57
PTGS2 P35354 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ABCC4 O15439 1/20 0.57
C5 P01031 1/20 0.57
LMNA P02545 1/20 0.57
CHRM2 P08172 1/20 0.57
CYP3A4 P08684 1/20 0.57
CHRM1 P11229 1/20 0.57
DRD2 P14416 1/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
TBXA2R P21731 1/20 0.57
NR4A1 P22736 1/20 0.57
HTR2A P28223 1/20 0.57

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
SCHEMBL8557451 0.93 RXRA (0.67) RXRARXRBRXRGNR4A2PTGS1
SCHEMBL8559309 0.91 RXRA (0.68) RXRARXRBRXRGNR4A2PTGS1
SCHEMBL8546148 0.89 RXRA (0.53) RXRARXRBRXRGNR4A2PTGS1
SCHEMBL8552927 0.88 RXRA (0.58) RXRARXRBRXRGNR4A2PTGS1
SCHEMBL8547851 0.88 PTGS1 (0.71) RXRARXRBRXRGNR4A2PTGS1
SCHEMBL6308361 0.88 NR4A2 (0.53) RXRARXRBRXRGNR4A2PTGS1
SCHEMBL8560614 0.87 RXRA (0.52) RXRARXRBRXRGNR4A2PTGS1
SCHEMBL8550567 0.86 NR4A2 (0.51) RXRARXRBRXRGNR4A2PTGS1
SCHEMBL8557634 0.86 NR4A2 (0.66) RXRARXRBRXRGNR4A2PTGS1
SCHEMBL9098566 0.85 RXRA (0.54) RXRARXRBRXRGNR4A2PTGS1

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