SCHEMBL8075310

SCHEMBL8075310

O=C(O)COc1cccc(C[C@@H]2CCCC[C@@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 13/20 0.85
PTGER4 P35408 4/20 0.53
PTGER3 P43115 2/20 0.53
FABP4 P15090 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TBXA2R P21731 1/20 0.51
PTGER2 P43116 1/20 0.51
PTGDR Q13258 1/20 0.51
NR4A2 P43354 2/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45

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
SCHEMBL8065468 1.00 PTGIR (0.85) PTGIRPTGER4PTGER3FABP4KDM4E
SCHEMBL8075309 1.00 PTGIR (0.85) PTGIRPTGER4PTGER3FABP4KDM4E
SCHEMBL8065467 1.00 PTGIR (0.85) PTGIRPTGER4PTGER3FABP4KDM4E
SCHEMBL8065464 1.00 PTGIR (0.85) PTGIRPTGER4PTGER3FABP4KDM4E
SCHEMBL8656111 1.00 PTGIR (0.85) PTGIRPTGER4PTGER3FABP4KDM4E
SCHEMBL7493184 0.99 PTGIR (0.84) PTGIRPTGER4PTGER3FABP4KDM4E
SCHEMBL7495806 0.99 PTGIR (0.84) PTGIRPTGER4PTGER3FABP4KDM4E
SCHEMBL8056487 0.98 PTGIR (0.85) PTGIRPTGER4PTGER3FABP4KDM4E
SCHEMBL8056792 0.93 PTGIR (0.75) PTGIRPTGER4PTGER3FABP4KDM4E
SCHEMBL8070068 0.90 PTGIR (1.00) 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
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
EP-0736018-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-09 EP disclosed
WO-1995017393-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-06-29 WO disclosed