SCHEMBL9685359

SCHEMBL9685359

CC(=O)c1ccc(CC(C)NCC(O)COc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.64
ADRB1 P08588 11/20 0.64
ADRB2 P07550 6/20 0.64
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
KMT2A Q03164 1/20 0.59
CYP2D6 P10635 1/20 0.58
ABCB1 P08183 2/20 0.56
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 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
SCHEMBL9685355 1.00 ADRB3 (0.64) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9684195 0.91 ADRB3 (0.64) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9812077 0.91 ADRB3 (0.64) ADRB3ADRB1ADRB2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL9683325 0.91 ADRB3 (0.64) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9684201 0.91 ADRB3 (0.64) ADRB3ADRB1ADRB2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL9683322 0.91 ADRB3 (0.64) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9683356 0.88 ADRB3 (0.58) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9683364 0.88 ADRB3 (0.58) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL7044330 0.86 ADRB3 (0.71) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9684306 0.86 ADRB3 (0.56) ADRB3ADRB1ADRB2MEN1ALDH1A1

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