SCHEMBL9006859

SCHEMBL9006859

CC(=O)OOc1cccc(C2=C(Cc3nc(-c4ccccc4)c(-c4ccccc4)o3)CCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.48
RXRA P19793 9/20 0.47
RXRB P28702 8/20 0.47
NR4A2 P43354 13/20 0.42
NR4A1 P22736 3/20 0.42
NR4A3 Q92570 3/20 0.42
RXRG P48443 5/20 0.41
KDM4E B2RXH2 1/20 0.41
ABCC4 O15439 1/20 0.41
C5 P01031 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
TBXA2R P21731 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR2A P28223 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
SCHEMBL9006861 0.98 PTGIR (0.50) PTGIRRXRARXRBNR4A2NR4A1
SCHEMBL9006860 0.91 PTGIR (0.49) PTGIRRXRARXRBNR4A2NR4A1
SCHEMBL9006866 0.89 PTGIR (0.51) PTGIRRXRARXRBNR4A2NR4A1
SCHEMBL8075431 0.85 RXRA (0.55) PTGIRRXRARXRBNR4A2NR4A1
SCHEMBL8056893 0.85 PTGIR (0.58) PTGIRRXRARXRBNR4A2NR4A1
SCHEMBL9006753 0.84 PTGIR (0.69) PTGIRRXRARXRBNR4A2KDM4E
SCHEMBL8065101 0.83 RXRA (0.55) PTGIRRXRARXRBNR4A2NR4A1
SCHEMBL8069442 0.83 PTGIR (0.60) PTGIRRXRARXRBNR4A2NR4A1
SCHEMBL27320815 0.80 NR4A2 (0.45) PTGIRRXRARXRBNR4A2NR4A1
SCHEMBL9452958 0.78 PPARD (0.54) RXRARXRBNR4A2NR4A1NR4A3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736018-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-09 EP disclosed