SCHEMBL9007086

SCHEMBL9007086

CCOC(=O)COc1cccc(CC2CCCCC2=Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 13/20 0.53
PTGER4 P35408 6/20 0.53
PTGER3 P43115 2/20 0.53
TBXA2R P21731 1/20 0.45
PTGER2 P43116 1/20 0.45
PTGDR Q13258 1/20 0.45
PTGER1 P34995 1/20 0.43
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FABP4 P15090 1/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39

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
SCHEMBL8055415 0.91 PTGIR (0.57) PTGIRPTGER4PTGER3TBXA2RPTGER2
SCHEMBL8055417 0.91 PTGIR (0.57) PTGIRPTGER4PTGER3TBXA2RPTGER2
SCHEMBL8055530 0.85 PTGIR (0.47) PTGIRPTGER4PTGER3TBXA2RPTGER2
SCHEMBL8055531 0.85 PTGIR (0.47) PTGIRPTGER4PTGER3TBXA2RPTGER2
SCHEMBL9006886 0.84 PTGIR (0.48) PTGIRPTGER4PTGER3TBXA2RPTGER2
SCHEMBL7487196 0.82 PTGIR (0.74) PTGIRPTGER4PTGER3TBXA2RPTGER2
SCHEMBL7487189 0.82 PTGIR (0.74) PTGIRPTGER4PTGER3TBXA2RPTGER2
SCHEMBL8066272 0.79 PTGIR (0.78) PTGIRPTGER4PTGER3TBXA2RPTGER2
SCHEMBL8056780 0.79 PTGIR (0.78) PTGIRPTGER4PTGER3TBXA2RPTGER2
SCHEMBL8066274 0.79 PTGIR (0.78) PTGIRPTGER4PTGER3TBXA2RPTGER2

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