SCHEMBL813535

SCHEMBL813535

CC(=O)Nc1ccc(C(=O)OCCOC(=O)c2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.79
RECQL P46063 1/20 0.79
PKM P14618 2/20 0.77
MAPK1 P28482 2/20 0.77
HSD17B10 Q99714 1/20 0.77
KMT2A Q03164 7/20 0.63
MEN1 O00255 5/20 0.63
MAPT P10636 4/20 0.63
KDM4E B2RXH2 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
RAB9A P51151 3/20 0.60
POLB P06746 2/20 0.60
ADRB2 P07550 1/20 0.60
ADRB1 P08588 1/20 0.60
ADRB3 P13945 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.58
ALDH1A1 P00352 3/20 0.56
TP53 P04637 1/20 0.56
HIF1A Q16665 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55

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
SCHEMBL813368 0.93 HPGD (0.70) HPGDRECQLPKMMAPK1HSD17B10
SCHEMBL10666168 0.91 HPGD (0.67) HPGDRECQLPKMMAPK1HSD17B10
Hydrochloric Acid SCHEMBL11161378 0.90 HPGD (0.80) HPGDRECQLPKMMAPK1HSD17B10
SCHEMBL12050126 0.89 HPGD (0.65) HPGDRECQLPKMMAPK1HSD17B10
SCHEMBL11163640 0.89 HPGD (0.78) HPGDRECQLPKMMAPK1HSD17B10
SCHEMBL13294050 0.88 HPGD (0.63) HPGDRECQLPKMMAPK1HSD17B10
SCHEMBL7473283 0.87 HPGD (0.67) HPGDRECQLPKMMAPK1HSD17B10
SCHEMBL4289783 0.87 HPGD (0.71) HPGDRECQLPKMMAPK1HSD17B10
SCHEMBL14442109 0.85 HPGD (0.64) HPGDRECQLPKMMAPK1HSD17B10
SCHEMBL3364980 0.85 HPGD (0.68) HPGDRECQLPKMMAPK1HSD17B10

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-7968668-B2 Diisocyanate terminated macromer and formulation thereof for use as an internal adhesive or sealant ETHICON INC. (US) 2011-06-28 US disclosed