SCHEMBL8545498

SCHEMBL8545498

COC(=O)CCCc1nc(-c2ccccc2S(C)(=O)=O)c(-c2ccc(Cl)c(Cl)c2)o1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.56
EPHX2 P34913 1/20 0.56
PTGS2 P35354 1/20 0.56
RXRA P19793 16/20 0.52
RXRB P28702 15/20 0.52
RXRG P48443 10/20 0.52
NR4A2 P43354 7/20 0.45
NR4A1 P22736 1/20 0.39
NR4A3 Q92570 1/20 0.39
PPARD Q03181 1/20 0.38

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
SCHEMBL6307370 0.93 PTGS1 (0.54) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL8547262 0.91 PTGS1 (0.68) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL8545495 0.86 PTGS2 (0.56) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL8552205 0.85 PTGS1 (0.56) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL8547278 0.81 PTGS1 (0.68) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL6307366 0.81 PTGS1 (0.55) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL6308203 0.81 PTGS1 (0.55) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL8560570 0.80 RXRA (0.53) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL8552200 0.79 PTGS1 (0.57) PTGS1EPHX2PTGS2RXRARXRB
SCHEMBL6308720 0.77 RXRA (0.48) 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