SCHEMBL9630134

SCHEMBL9630134

CC(Cc1ccc(OCC(=O)O)cc1)NC(O)Cc1cccc(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.66
ADRB1 P08588 10/20 0.66
ADRB2 P07550 8/20 0.66
CYP2D6 P10635 2/20 0.66
ADRA1D P25100 1/20 0.66
ADRA1A P35348 1/20 0.66
ADRA1B P35368 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
GLA P06280 1/20 0.54
CYP3A4 P08684 1/20 0.53
HIF1A Q16665 1/20 0.53
MAOB P27338 2/20 0.53
SLC2A1 P11166 1/20 0.48

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
SCHEMBL10774911 0.80 ADRB3 (0.71) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL302999 0.80 ADRB3 (1.00) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL3692642 0.80 ADRB3 (1.00) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL304309 0.80 ADRB3 (1.00) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL304308 0.80 ADRB3 (1.00) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL302998 0.80 ADRB3 (1.00) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL4344462 0.79 ADRB3 (0.98) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL9811884 0.79 ADRB2 (0.54) ADRB3ADRB1ADRB2CYP2D6ADRA1D
SCHEMBL9811995 0.79 ADRB2 (0.54) ADRB3ADRB1ADRB2CYP2D6ADRA1D
Water SCHEMBL15421412 0.78 ADRB3 (0.96) ADRB3ADRB1ADRB2CYP2D6ADRA1D

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-5153210-A Hypoglycemic agent, animal growth regulator; veterinary medicine BEECHAM GROUP P.L.C. (GB) 1992-10-06 US disclosed