SCHEMBL9685022

SCHEMBL9685022

CC(=O)c1ccc(CC(C)O)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
LMNA P02545 3/20 0.49
PRNP P04156 1/20 0.49
RECQL P46063 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HPGD P15428 4/20 0.47
GSK3B P49841 1/20 0.46
TSHR P16473 1/20 0.43
HDAC6 Q9UBN7 2/20 0.41
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
PRSS1 P07477 4/20 0.38
TMPRSS15 P98073 4/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL10728228 1.00 ALDH1A1 (0.49) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL9685027 1.00 ALDH1A1 (0.49) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL261445 0.87 ALDH1A1 (0.61) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL10731118 0.84 ALDH1A1 (0.47) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL10731111 0.84 ALDH1A1 (0.47) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL9685230 0.82 ALDH1A1 (0.54) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL10732030 0.82 ALDH1A1 (0.54) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL9685535 0.80 ALDH1A1 (0.44) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL10726013 0.80 ALDH1A1 (0.44) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL9685246 0.80 HPGD (0.44) ALDH1A1LMNAPRNPRECQLRXFP1

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 12 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
CN-1005711-B Preparation method of phenoxypropanolamine compounds 弗·哈夫曼-拉罗彻公司 1989-11-08 CN disclosed
EP-0140243-B1 PHENOXYPROPANOL AMINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-11-09 EP disclosed
US-4652679-A Aziridine and phenethanolamine derivatives having antiobesity and anti-hyperglycaemic acitivity HOFFMANN-LA ROCHE INC. (US) 1987-03-24 US disclosed
CN-85101280-A Benzene oxygen propanol amine compounds 1987-01-17 CN disclosed
EP-0094595-B1 AZIRIDINE AND PHENYLETHANOL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-01-14 EP disclosed
US-4585796-A HYPOGLYCEMIC, ANTI-OBESITY HOFFMANN-LA ROCHE INC. (US) 1986-04-29 US disclosed
EP-0101069-B1 PHENETHANOL AMINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-04-23 EP disclosed
EP-0140243-A2 Phenoxypropanol amines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-05-08 EP disclosed
EP-0101069-A1 Phenethanol amines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-02-22 EP disclosed
EP-0094595-A1 Aziridine and phenylethanol amine derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-11-23 EP disclosed