SCHEMBL813368

SCHEMBL813368

COCCOC(=O)c1ccc(NC(C)=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.70
RECQL P46063 1/20 0.70
PKM P14618 2/20 0.68
MAPK1 P28482 2/20 0.68
HSD17B10 Q99714 1/20 0.68
KMT2A Q03164 6/20 0.57
MAPT P10636 5/20 0.57
MEN1 O00255 4/20 0.57
KDM4E B2RXH2 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ABCB11 O95342 1/20 0.57
CYP3A4 P08684 1/20 0.57
ADRA2B P18089 1/20 0.57
OPRD1 P41143 1/20 0.57
SCN5A Q14524 1/20 0.57
RAB9A P51151 3/20 0.55
POLB P06746 1/20 0.55
ADRB2 P07550 1/20 0.55
ADRB1 P08588 1/20 0.55
ADRB3 P13945 1/20 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
SCHEMBL12050126 0.95 HPGD (0.65) HPGDRECQLPKMMAPK1HSD17B10
SCHEMBL813535 0.93 HPGD (0.79) HPGDRECQLPKMMAPK1HSD17B10
SCHEMBL14442112 0.87 HPGD (0.60) HPGDRECQLPKMMAPK1HSD17B10
SCHEMBL10666168 0.84 HPGD (0.67) HPGDRECQLPKMMAPK1HSD17B10
SCHEMBL14134604 0.84 HPGD (0.57) HPGDRECQLPKMMAPK1HSD17B10
SCHEMBL9969969 0.84 TSHR (0.64) HPGDMAPK1MAPTABCB11CYP3A4
Hydrochloric Acid SCHEMBL11161378 0.84 HPGD (0.80) HPGDRECQLPKMMAPK1HSD17B10
SCHEMBL16640624 0.83 MAPT (0.60) HPGDMAPK1HSD17B10KMT2AMAPT
SCHEMBL11163640 0.83 HPGD (0.78) HPGDRECQLPKMMAPK1HSD17B10
SCHEMBL13294050 0.82 HPGD (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071663-B2 Medically acceptable formulation of a diisocyanate terminated macromer for use as an internal adhesive or sealant ETHICON, INC. (US) 2011-12-06 US disclosed
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
US-7728097-B2 Method of making a diisocyanate terminated macromer ETHICON, INC. (US) 2010-06-01 US disclosed