SCHEMBL7475010

SCHEMBL7475010

O=C(O)COc1ccc(CCNC(=O)c2cccc(CC3CCCC=C3c3nc(-c4ccccc4)c(-c4ccccc4)o3)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.68
PTGIR P43119 11/20 0.67
PTGER1 P34995 1/20 0.67
PTGER3 P43115 2/20 0.64
FABP4 P15090 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PARP1 P09874 4/20 0.39
TBXA2R P21731 1/20 0.38
PTGER2 P43116 1/20 0.38
PTGDR Q13258 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
SCHEMBL7840686 0.94 PTGIR (0.74) PTGER4PTGIRPTGER1PTGER3FABP4
SCHEMBL7477735 0.90 PTGER4 (0.73) PTGER4PTGIRPTGER1PTGER3PARP1
SCHEMBL7475495 0.90 PTGER4 (0.78) PTGER4PTGIRPTGER1PTGER3KDM4E
SCHEMBL7844739 0.89 PTGER4 (0.69) PTGER4PTGIRPTGER1PTGER3KDM4E
SCHEMBL7842424 0.87 PTGER4 (0.64) PTGER4PTGIRPTGER1PTGER3KDM4E
SCHEMBL7476217 0.87 PTGIR (0.79) PTGER4PTGIRPTGER1PTGER3FABP4
SCHEMBL7493443 0.86 PTGIR (0.71) PTGER4PTGIRPTGER1PTGER3FABP4
SCHEMBL7486175 0.86 PTGER4 (0.70) PTGER4PTGIRPTGER1PTGER3MEN1
SCHEMBL7486168 0.86 PTGER4 (0.70) PTGER4PTGIRPTGER1PTGER3MEN1
Hydrochloric Acid SCHEMBL7481069 0.85 PTGER4 (0.69) PTGER4PTGIRPTGER1PTGER3MEN1

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
US-6437146-B1 MESANGIAL PROLIFERATIVE GLOMERULONEPHRITIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-20 US disclosed