SCHEMBL8055415

SCHEMBL8055415

O=C(O)COc1cccc(CC2CCCC/C2=C/c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 13/20 0.57
PTGER4 P35408 6/20 0.57
PTGER3 P43115 2/20 0.57
FABP4 P15090 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TBXA2R P21731 1/20 0.48
PTGER2 P43116 1/20 0.48
PTGDR Q13258 1/20 0.48
PTGER1 P34995 1/20 0.47
CPT2 P23786 1/20 0.38
CPT1A P50416 1/20 0.38
CPT1B Q92523 1/20 0.38

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
SCHEMBL8055417 1.00 PTGIR (0.57) PTGIRPTGER4PTGER3FABP4KDM4E
SCHEMBL9007086 0.91 PTGIR (0.53) PTGIRPTGER4PTGER3FABP4KDM4E
SCHEMBL8055530 0.87 PTGIR (0.47) PTGIRPTGER4PTGER3KDM4EALDH1A1
SCHEMBL8055531 0.87 PTGIR (0.47) PTGIRPTGER4PTGER3KDM4EALDH1A1
SCHEMBL9006886 0.87 PTGIR (0.48) PTGIRPTGER4PTGER3TBXA2RPTGER2
SCHEMBL8065993 0.85 FABP4 (0.50) PTGIRPTGER4PTGER3FABP4KDM4E
SCHEMBL8065990 0.85 FABP4 (0.50) PTGIRPTGER4PTGER3FABP4KDM4E
SCHEMBL7489580 0.81 PTGIR (0.82) PTGIRPTGER4PTGER3FABP4KDM4E
SCHEMBL7499177 0.80 PTGIR (0.81) PTGIRPTGER4PTGER3FABP4KDM4E
SCHEMBL7499185 0.80 PTGIR (0.81) PTGIRPTGER4PTGER3FABP4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736018-B1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2000-07-05 EP disclosed
US-6025375-A INHIBITORY ACTIVITY ON PLATELET AGGREGATION, VASODILATING ACTIVITY, ANTIHYPERTENSIVE ACTIVITY OR THE LIKE AND ARE PROSTAGLANDIN I.SUB.2 AGONISTS, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-15 US disclosed
WO-1995017393-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-06-29 WO disclosed