SCHEMBL8548372

SCHEMBL8548372

COC(=O)C(C)(C)CCc1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)o1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.66
RXRB P28702 17/20 0.66
RXRG P48443 12/20 0.66
PTGS1 P23219 2/20 0.63
EPHX2 P34913 2/20 0.63
PTGS2 P35354 2/20 0.63
NR4A2 P43354 7/20 0.47
NR4A1 P22736 2/20 0.46
NR4A3 Q92570 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ABCC4 O15439 1/20 0.46
C5 P01031 1/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD2 P14416 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
TBXA2R P21731 1/20 0.46

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
SCHEMBL8553024 0.85 RXRA (0.48) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL8548370 0.80 RXRA (0.60) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL21805996 0.78 PTGS1 (1.00) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL6314158 0.73 PTGS1 (0.91) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL8546232 0.73 RXRA (0.71) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL31582283 0.70 NR4A2 (0.62) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL21565182 0.70 RXRA (0.65) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL14770340 0.70 NR4A2 (0.60) RXRARXRBRXRGPTGS1EPHX2
SCHEMBL13448810 0.70 RXRA (0.72) RXRARXRBRXRGPTGS1EPHX2
Hydrochloric Acid SCHEMBL30509618 0.69 RXRA (0.71) 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