SCHEMBL8550151

SCHEMBL8550151

NS(=O)(=O)c1ccc(-c2oc(CCCCCC(=O)O)nc2-c2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.76
RXRB P28702 14/20 0.76
NR4A2 P43354 6/20 0.76
RXRG P48443 11/20 0.70
PTGS1 P23219 2/20 0.62
EPHX2 P34913 2/20 0.62
PTGS2 P35354 2/20 0.62
NR4A1 P22736 2/20 0.62
NR4A3 Q92570 2/20 0.62
KDM4E B2RXH2 1/20 0.62
ABCC4 O15439 1/20 0.62
C5 P01031 1/20 0.62
LMNA P02545 1/20 0.62
CHRM2 P08172 1/20 0.62
CYP3A4 P08684 1/20 0.62
CHRM1 P11229 1/20 0.62
DRD2 P14416 1/20 0.62
HPGD P15428 1/20 0.62
TSHR P16473 1/20 0.62
TBXA2R P21731 1/20 0.62

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
SCHEMBL8547300 0.99 RXRA (0.78) RXRARXRBNR4A2RXRGPTGS1
SCHEMBL5733040 0.96 RXRA (0.77) RXRARXRBNR4A2RXRGPTGS1
SCHEMBL5733196 0.96 RXRA (0.77) RXRARXRBNR4A2RXRGPTGS1
SCHEMBL5732078 0.91 RXRA (0.76) RXRARXRBNR4A2RXRGPTGS1
SCHEMBL5732939 0.91 RXRA (0.76) RXRARXRBNR4A2RXRGPTGS1
SCHEMBL8552403 0.90 RXRA (0.64) RXRARXRBNR4A2RXRGPTGS1
SCHEMBL8551427 0.90 RXRA (0.64) RXRARXRBNR4A2RXRGPTGS1
SCHEMBL8549473 0.89 RXRA (0.59) RXRARXRBNR4A2RXRGPTGS1
SCHEMBL8112934 0.89 RXRA (0.97) RXRARXRBNR4A2RXRGPTGS1
SCHEMBL4322298 0.89 RXRA (0.97) RXRARXRBNR4A2RXRGPTGS1

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 3 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 claimed
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