SCHEMBL9037846

SCHEMBL9037846

NS(=O)(=O)c1ccc(-c2oc(CCOc3ccc(C(=O)O)cc3)nc2-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 8/20 0.49
RXRA P19793 9/20 0.48
RXRB P28702 9/20 0.48
RXRG P48443 5/20 0.48
NR4A1 P22736 3/20 0.48
NR4A3 Q92570 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
PTGS1 P23219 2/20 0.48
PTGS2 P35354 2/20 0.48
ABCC4 O15439 1/20 0.48
C5 P01031 1/20 0.48
LMNA P02545 1/20 0.48
CHRM2 P08172 1/20 0.48
CYP3A4 P08684 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD2 P14416 1/20 0.48
TSHR P16473 1/20 0.48
TBXA2R P21731 1/20 0.48
HTR2A P28223 1/20 0.48

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
SCHEMBL9026295 0.90 PTGS2 (0.52) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL7505354 0.90 CA12 (0.52) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL7510837 0.90 CA12 (0.52) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL9026424 0.84 PTGS2 (0.47) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL8551964 0.82 PTGS2 (0.49) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL8549353 0.80 PTGS2 (0.52) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL7508729 0.80 PTGS2 (0.54) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL7497356 0.80 PTGS2 (0.54) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL5732078 0.80 RXRA (0.76) NR4A2RXRARXRBRXRGNR4A1
SCHEMBL7502659 0.80 CA1 (0.56) NR4A2RXRARXRBRXRGNR4A1

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