SCHEMBL9684207

SCHEMBL9684207

COC(=O)C=C(C)C=C(C)c1ccc(C[C@@H](C)NCC(O)COc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.53
ADRB1 P08588 13/20 0.53
ADRB2 P07550 6/20 0.53
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP2D6 P10635 1/20 0.47

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
SCHEMBL9684306 0.95 ADRB3 (0.56) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9684313 0.95 ADRB3 (0.56) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9683364 0.89 ADRB3 (0.58) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9683356 0.89 ADRB3 (0.58) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9684201 0.83 ADRB3 (0.64) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9685359 0.83 ADRB3 (0.64) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9684195 0.83 ADRB3 (0.64) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9812077 0.83 ADRB3 (0.64) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9685355 0.83 ADRB3 (0.64) ADRB3ADRB1ADRB2MEN1ALDH1A1
SCHEMBL9684044 0.82 ADRB3 (0.44) ADRB3ADRB1ADRB2CYP2D6

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 4 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
EP-0140243-B1 PHENOXYPROPANOL AMINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-11-09 EP disclosed
EP-0140243-A2 Phenoxypropanol amines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-05-08 EP disclosed