SCHEMBL9685034

SCHEMBL9685034

CC(=O)CCc1ccc(C(=O)O)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
PRNP P04156 1/20 0.53
RECQL P46063 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
DAO P14920 6/20 0.47
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 2/20 0.45
TP53 P04637 1/20 0.43
PKM P14618 2/20 0.43
LIG1 P18858 1/20 0.43
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 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
SCHEMBL10639931 0.87 ALDH1A1 (0.63) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL11035063 0.82 HPGD (0.62) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL12411437 0.81 DAO (0.50) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL262537 0.81 DAO (0.50) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL6016146 0.81 HPGD (0.60) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL6894878 0.79 DAO (0.47) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL6016206 0.78 CYP4F2 (0.47) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL261238 0.78 POLB (0.54) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL6077226 0.77 ALDH1A1 (0.49) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL20860725 0.77 POLB (0.43) 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 5 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
US-4585796-A HYPOGLYCEMIC, ANTI-OBESITY HOFFMANN-LA ROCHE INC. (US) 1986-04-29 US disclosed