SCHEMBL28294044

SCHEMBL28294044

CC(Cc1ccc(O)cc1)NC[C@@H](O)c1cccc(Cl)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.81
ADRB2 P07550 14/20 0.71
ADRB3 P13945 11/20 0.71
ADRB1 P08588 9/20 0.71
CYP3A4 P08684 3/20 0.67
MAPK1 P28482 3/20 0.67
CYP2D6 P10635 2/20 0.67
ADRA1A P35348 2/20 0.67
NPSR1 Q6W5P4 2/20 0.67
TSHR P16473 1/20 0.67
HIF1A Q16665 1/20 0.67
HSD17B10 Q99714 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
PTGS1 P23219 1/20 0.67
SLC6A2 P23975 1/20 0.67
HTR2A P28223 1/20 0.67
SLC6A4 P31645 1/20 0.67
MC4R P32245 1/20 0.67
OPRM1 P35372 1/20 0.67
MC3R P41968 1/20 0.67

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
SCHEMBL7153896 1.00 SLC2A1 (0.81) SLC2A1ADRB2ADRB3ADRB1CYP3A4
SCHEMBL3705430 1.00 SLC2A1 (0.81) SLC2A1ADRB2ADRB3ADRB1CYP3A4
SCHEMBL7153891 1.00 SLC2A1 (0.81) SLC2A1ADRB2ADRB3ADRB1CYP3A4
SCHEMBL10873061 0.97 SLC2A1 (0.78) SLC2A1ADRB2ADRB3ADRB1CYP3A4
SCHEMBL10873052 0.97 SLC2A1 (0.78) SLC2A1ADRB2ADRB3ADRB1CYP3A4
SCHEMBL10433618 0.97 SLC2A1 (0.78) SLC2A1ADRB2ADRB3ADRB1CYP3A4
SCHEMBL10772483 0.91 SLC2A1 (0.83) SLC2A1ADRB2ADRB3ADRB1CYP3A4
SCHEMBL10772479 0.91 SLC2A1 (0.83) SLC2A1ADRB2ADRB3ADRB1CYP3A4
SCHEMBL10775119 0.91 SLC2A1 (0.97) SLC2A1ADRB2ADRB3ADRB1CYP3A4
SCHEMBL11182206 0.91 SLC2A1 (0.83) SLC2A1ADRB2ADRB3ADRB1CYP3A4

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
CN-109715637-A Glucokinase activators and its application method 百时美施贵宝公司 2019-05-03 CN disclosed