SCHEMBL17539677

SCHEMBL17539677

CCNCc1ccccc1B(O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.52
TSHR P16473 2/20 0.47
CYP2D6 P10635 1/20 0.47
HIF1A Q16665 1/20 0.47
CA12 O43570 5/20 0.44
CA2 P00918 5/20 0.44
GAA P10253 1/20 0.44
CA9 Q16790 4/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MPO P05164 4/20 0.40
PKM P14618 1/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 1/20 0.37
ENPP2 Q13822 1/20 0.36

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
SCHEMBL26009770 0.86 LIPG (0.50) LIPGTSHRCYP2D6HIF1ACA12
SCHEMBL13287109 0.86 LIPG (0.48) LIPGTSHRCYP2D6HIF1ACA12
SCHEMBL6348034 0.83 LIPG (0.56) LIPGTSHRCA12CA2GAA
SCHEMBL15745844 0.82 CA12 (0.58) LIPGTSHRCYP2D6CA12CA2
SCHEMBL15745843 0.82 CA12 (0.58) LIPGTSHRCA12CA2CA9
SCHEMBL26010250 0.82 PKM (0.50) LIPGTSHRCYP2D6HIF1AKDM4E
SCHEMBL6348017 0.81 PKM (0.58) LIPGTSHRCYP2D6HIF1AKDM4E
SCHEMBL6350780 0.79 LIPG (0.43) LIPGTSHRCYP2D6HIF1ACA12
SCHEMBL237159 0.79 LIPG (0.47) LIPGTSHRCA12CA2CA9
SCHEMBL902105 0.79 LIPG (0.50) LIPGKDM4EPKMSLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154303-A2 DYNAMIC-COVALENT HYDROGELS WITH GLUCOSE-SPECIFIC AND GLUCOSE-RESPONSIVE DIBORONATE CROSSLINKING UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-08-17 WO disclosed
WO-2016025002-A1 CROSSLINKABLE PROPPANT PARTICULATES FOR USE IN SUBTERRANEAN FORMATION OPERATIONS HALLIBURTON ENERGY SERVICES, INC. (US) 2016-02-18 WO disclosed