SCHEMBL8547653

SCHEMBL8547653

CCCCc1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccccc2)o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.63
NR4A2 P43354 9/20 0.56
RXRA P19793 8/20 0.56
RXRB P28702 8/20 0.56
RXRG P48443 5/20 0.56
AOC3 Q16853 1/20 0.56
PTGS1 P23219 4/20 0.52
NR4A1 P22736 3/20 0.52
NR4A3 Q92570 3/20 0.52
EPHX2 P34913 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ABCC4 O15439 1/20 0.52
C5 P01031 1/20 0.52
LMNA P02545 1/20 0.52
CHRM2 P08172 1/20 0.52
CYP3A4 P08684 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD2 P14416 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL7503971 0.93 PTGS2 (0.66) PTGS2NR4A2RXRARXRBRXRG
SCHEMBL7498551 0.93 PTGS2 (0.66) PTGS2NR4A2RXRARXRBRXRG
SCHEMBL6022651 0.89 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL7502816 0.89 PTGS2 (0.62) PTGS2NR4A2RXRARXRBRXRG
SCHEMBL7505024 0.89 PTGS2 (0.62) PTGS2NR4A2RXRARXRBRXRG
SCHEMBL7499682 0.87 PTGS2 (0.69) PTGS2NR4A2RXRARXRBRXRG
SCHEMBL7512959 0.87 PTGS2 (0.69) PTGS2NR4A2RXRARXRBRXRG
SCHEMBL5732773 0.87 RXRA (0.77) PTGS2NR4A2RXRARXRBRXRG
SCHEMBL7506581 0.87 RXRA (0.77) PTGS2NR4A2RXRARXRBRXRG
SCHEMBL14773995 0.87 NR4A2 (0.67) PTGS2NR4A2RXRARXRBRXRG

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