SCHEMBL9684860

SCHEMBL9684860

CC(=O)c1ccc(CC[C@H](C)N)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
PRNP P04156 1/20 0.53
RECQL P46063 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
HPGD P15428 2/20 0.49
GSK3B P49841 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL10728124 1.00 ALDH1A1 (0.53) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL9684856 1.00 ALDH1A1 (0.53) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL9684157 0.87 F2 (0.43) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL9685380 0.87 F2 (0.43) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL9685230 0.85 ALDH1A1 (0.54) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL10732030 0.85 ALDH1A1 (0.54) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL10731118 0.83 ALDH1A1 (0.47) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL10731111 0.83 ALDH1A1 (0.47) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL10725526 0.83 MRGPRX4 (0.44) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL10725537 0.83 MRGPRX4 (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 7 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
US-4652679-A Aziridine and phenethanolamine derivatives having antiobesity and anti-hyperglycaemic acitivity HOFFMANN-LA ROCHE INC. (US) 1987-03-24 US disclosed
EP-0094595-B1 AZIRIDINE AND PHENYLETHANOL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-01-14 EP disclosed
EP-0140243-A2 Phenoxypropanol amines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-05-08 EP disclosed
EP-0094595-A1 Aziridine and phenylethanol amine derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-11-23 EP disclosed