SCHEMBL8553019

SCHEMBL8553019

COC(=O)CC(C)(C)Cc1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccc(S(N)(=O)=O)cc2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 2/20 0.46
PTGS1 P23219 5/20 0.44
PTGS2 P35354 5/20 0.44
EPHX2 P34913 1/20 0.44
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
CA12 O43570 8/20 0.40
CA1 P00915 8/20 0.40
CA2 P00918 8/20 0.40
CA9 Q16790 8/20 0.40
PPARD Q03181 1/20 0.38
CA14 Q9ULX7 4/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ENPP3 O14638 1/20 0.36
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36

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
SCHEMBL8546261 0.90 RXRA (0.53) RXRARXRBRXRGPTGS1PTGS2
SCHEMBL8548370 0.88 RXRA (0.60) RXRARXRBRXRGPTGS1PTGS2
SCHEMBL6307366 0.80 PTGS1 (0.55) RXRARXRBRXRGPTGS1PTGS2
SCHEMBL8551262 0.79 MAOA (0.53) RXRARXRBRXRGPTGS1PTGS2
SCHEMBL8548344 0.77 NR4A2 (0.51) RXRARXRBRXRGPTGS1PTGS2
SCHEMBL8546163 0.77 RXRA (0.76) RXRARXRBRXRGPTGS1PTGS2
SCHEMBL8546263 0.76 RXRA (0.50) RXRARXRBRXRGPTGS1PTGS2
SCHEMBL8617299 0.75 CA12 (0.41) PTGS1PTGS2MAOAMAOBCA12
SCHEMBL8547846 0.75 PTGS1 (0.77) RXRARXRBRXRGPTGS1PTGS2
SCHEMBL5731953 0.74 RXRA (0.59) RXRARXRBRXRGPTGS1PTGS2

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