SCHEMBL9684248

SCHEMBL9684248

COC(=O)COc1ccc(CC(C)NC[C@H](O)COc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 12/20 0.65
ADRB3 P13945 11/20 0.65
ADRB2 P07550 8/20 0.65
GLA P06280 1/20 0.60
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
KMT2A Q03164 1/20 0.57
CYP2D6 P10635 2/20 0.55
ADRA1D P25100 2/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1B P35368 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 1/20 0.50
CNR1 P21554 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL9684241 1.00 ADRB1 (0.65) ADRB1ADRB3ADRB2GLAMEN1
SCHEMBL8757430 0.94 ADRB3 (0.63) ADRB1ADRB3ADRB2GLAMEN1
SCHEMBL8757427 0.94 ADRB3 (0.63) ADRB1ADRB3ADRB2GLAMEN1
SCHEMBL8757490 0.91 ADRB3 (0.57) ADRB1ADRB3ADRB2GLAMEN1
SCHEMBL8757495 0.91 ADRB3 (0.57) ADRB1ADRB3ADRB2GLAMEN1
SCHEMBL10365832 0.91 ADRB2 (0.60) ADRB1ADRB3ADRB2MEN1ALDH1A1
SCHEMBL8758298 0.90 ADRB3 (0.64) ADRB1ADRB3ADRB2GLAMEN1
SCHEMBL8758301 0.90 ADRB3 (0.64) ADRB1ADRB3ADRB2GLAMEN1
SCHEMBL8758191 0.89 ADRB3 (0.56) ADRB1ADRB3ADRB2GLAMEN1
SCHEMBL8758187 0.89 ADRB3 (0.56) ADRB1ADRB3ADRB2GLAMEN1

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
US-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 US disclosed
US-5064863-A Catabolic activity, obesity, diabetes HOFFMANN-LA ROCHE INC. (US) 1991-11-12 US disclosed