SCHEMBL8547846

SCHEMBL8547846

NS(=O)(=O)c1ccc(-c2oc(CCCC(=O)O)nc2-c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.77
EPHX2 P34913 2/20 0.77
PTGS2 P35354 2/20 0.77
RXRA P19793 18/20 0.67
RXRB P28702 18/20 0.67
RXRG P48443 14/20 0.67
NR4A2 P43354 6/20 0.57
KDM4E B2RXH2 1/20 0.47
ABCC4 O15439 1/20 0.47
C5 P01031 1/20 0.47
LMNA P02545 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD2 P14416 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
TBXA2R P21731 1/20 0.47
NR4A1 P22736 1/20 0.47
HTR2A P28223 1/20 0.47

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
SCHEMBL8548227 0.97 PTGS1 (0.72) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL8547277 0.96 PTGS1 (0.70) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL8546163 0.94 RXRA (0.76) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL21805996 0.87 PTGS1 (1.00) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL5733040 0.86 RXRA (0.77) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL5733196 0.86 RXRA (0.77) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL8547260 0.86 PTGS1 (0.70) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL6308201 0.85 PTGS1 (0.56) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL8547851 0.84 PTGS1 (0.71) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL6307366 0.84 PTGS1 (0.55) PTGS1EPHX2PTGS2RXRARXRB

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