SCHEMBL8545495

SCHEMBL8545495

COC(=O)CCCc1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)c(Cl)c2)o1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.56
PTGS1 P23219 2/20 0.56
EPHX2 P34913 1/20 0.56
RXRA P19793 13/20 0.55
RXRB P28702 13/20 0.55
RXRG P48443 10/20 0.55
PPARD Q03181 1/20 0.43
NR4A2 P43354 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6307366 0.91 PTGS1 (0.55) PTGS2PTGS1EPHX2RXRARXRB
SCHEMBL8547260 0.89 PTGS1 (0.70) PTGS2PTGS1EPHX2RXRARXRB
SCHEMBL7505452 0.86 RXRA (0.61) PTGS2PTGS1EPHX2RXRARXRB
SCHEMBL7504563 0.86 RXRA (0.61) PTGS2PTGS1EPHX2RXRARXRB
SCHEMBL8545498 0.86 PTGS1 (0.56) PTGS2PTGS1EPHX2RXRARXRB
SCHEMBL8552200 0.85 PTGS1 (0.57) PTGS2PTGS1EPHX2RXRARXRB
SCHEMBL7502113 0.85 PTGS2 (0.56) PTGS2PTGS1EPHX2RXRARXRB
SCHEMBL6307370 0.81 PTGS1 (0.54) PTGS2PTGS1EPHX2RXRARXRB
SCHEMBL7501971 0.80 NR4A2 (0.64) PTGS2PTGS1EPHX2RXRARXRB
SCHEMBL7510698 0.80 NR4A2 (0.64) PTGS2PTGS1EPHX2RXRARXRB

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