SCHEMBL8548370

SCHEMBL8548370

COC(=O)CC(C)(C)Cc1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)o1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.60
RXRB P28702 10/20 0.60
RXRG P48443 8/20 0.60
PTGS1 P23219 1/20 0.58
EPHX2 P34913 1/20 0.58
PTGS2 P35354 1/20 0.58
NR4A2 P43354 7/20 0.43
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
PPARD Q03181 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL8553019 0.88 RXRA (0.46) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL8548372 0.80 RXRA (0.66) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL8546261 0.78 RXRA (0.53) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL8546263 0.76 RXRA (0.50) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL21805996 0.73 PTGS1 (1.00) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL8139729 0.72 NR4A2 (0.71) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL21565182 0.70 RXRA (0.65) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL8548344 0.70 NR4A2 (0.51) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL13448810 0.70 RXRA (0.72) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL12217064 0.69 NR4A2 (0.63) 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 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