SCHEMBL7574288

SCHEMBL7574288

CC(=O)CCc1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.61
PTGS1 P23219 4/20 0.61
NR4A2 P43354 7/20 0.52
RXRA P19793 8/20 0.49
RXRB P28702 8/20 0.49
RXRG P48443 5/20 0.49
NR4A1 P22736 2/20 0.49
NR4A3 Q92570 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ABCC4 O15439 1/20 0.49
C5 P01031 1/20 0.49
LMNA P02545 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD2 P14416 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
TBXA2R P21731 1/20 0.49
HTR2A P28223 1/20 0.49

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
SCHEMBL5732857 0.91 RXRA (0.62) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL5732397 0.91 RXRA (0.62) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL5761168 0.90 NR4A2 (0.61) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL7500911 0.88 PTGS2 (0.58) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL7504636 0.88 PTGS2 (0.58) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL7502336 0.87 PTGS2 (0.65) PTGS2PTGS1NR4A2
SCHEMBL6308589 0.87 PTGS2 (0.57) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL5732600 0.87 RXRA (0.63) PTGS2PTGS1NR4A2RXRARXRB
SCHEMBL7500353 0.86 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL8552548 0.85 PTGS2 (0.62) PTGS2PTGS1NR4A2RXRARXRB

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 1 patent. 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