SCHEMBL8553024

SCHEMBL8553024

COC(=O)C(C)(C)CCc1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccccc2S(N)(=O)=O)o1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.48
RXRB P28702 10/20 0.48
RXRG P48443 6/20 0.48
PTGS1 P23219 1/20 0.46
EPHX2 P34913 1/20 0.46
PTGS2 P35354 1/20 0.46
NR4A2 P43354 7/20 0.41
F10 P00742 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A3 Q92570 1/20 0.40
PTGES2 Q9H7Z7 2/20 0.39
PPARD Q03181 1/20 0.35

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
SCHEMBL8548372 0.85 RXRA (0.66) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL8546168 0.83 RXRA (0.70) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL8547851 0.81 PTGS1 (0.71) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL8546263 0.80 RXRA (0.50) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL6307370 0.78 PTGS1 (0.54) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL8559396 0.78 RXRA (0.48) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL6308151 0.77 PTGS2 (0.48) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL6315580 0.77 PTGS2 (0.45) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL6309656 0.76 NR4A2 (0.51) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL8604402 0.75 PTGS2 (0.43) RXRARXRBRXRGPTGS1EPHX2

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