SCHEMBL8549815

SCHEMBL8549815

COC(=O)CCCCc1nc(-c2ccccc2)c(-c2ccc(F)cc2)o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.65
RXRB P28702 10/20 0.65
NR4A2 P43354 8/20 0.65
RXRG P48443 6/20 0.60
NR4A1 P22736 3/20 0.56
NR4A3 Q92570 3/20 0.56
KDM4E B2RXH2 3/20 0.56
HPGD P15428 3/20 0.56
PTGS1 P23219 2/20 0.56
EPHX2 P34913 2/20 0.56
PTGS2 P35354 2/20 0.56
ABCC4 O15439 1/20 0.56
C5 P01031 1/20 0.56
LMNA P02545 1/20 0.56
CHRM2 P08172 1/20 0.56
CYP3A4 P08684 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD2 P14416 1/20 0.56
TSHR P16473 1/20 0.56
TBXA2R P21731 1/20 0.56

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
SCHEMBL9452928 0.92 RXRA (0.73) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL9452907 0.92 RXRA (0.73) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL25942924 0.92 RXRA (0.73) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL4337631 0.89 RXRA (0.61) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL8550748 0.87 PTGS2 (0.55) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL8549594 0.87 PTGS2 (0.55) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL4334504 0.86 RXRA (0.83) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL8547810 0.85 RXRA (0.60) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL13448810 0.85 RXRA (0.72) RXRARXRBNR4A2RXRGNR4A1
SCHEMBL4327039 0.85 RXRA (0.65) RXRARXRBNR4A2RXRGNR4A1

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