SCHEMBL3167665

SCHEMBL3167665

CCOC(=O)CC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.62
MAOA P21397 1/20 0.62
NR4A2 P43354 1/20 0.59
RAB9A P51151 6/20 0.56
NPC1 O15118 4/20 0.56
MAPT P10636 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.51
ALDH1A1 P00352 4/20 0.50
PKM P14618 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
FFAR1 O14842 1/20 0.50
MAPK1 P28482 1/20 0.49
RXRA P19793 1/20 0.49

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
SCHEMBL377079 0.86 MAOB (0.60) MAOBNR4A2RAB9ANPC1MAPT
SCHEMBL276803 0.86 SMN1; SMN2 (0.61) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL4709350 0.85 HDAC3 (0.59) MAOBNR4A2RAB9ANPC1MAPT
SCHEMBL11087771 0.85 MMP1 (0.55) MAOBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11601734 0.83 MAOB (0.68) MAOBMAOANR4A2RAB9ANPC1
SCHEMBL21991755 0.83 MAOB (0.60) MAOBMAOANR4A2RAB9ANPC1
SCHEMBL4263364 0.82 SMN1; SMN2 (0.56) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL11830013 0.81 NPC1 (0.62) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL21992641 0.81 MAOB (0.57) MAOBMAOANR4A2RAB9ANPC1
SCHEMBL24805921 0.79 L3MBTL1 (0.58) MAOBMAOARAB9ANPC1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645772-B2 4-(4-benzyloxy-3-chlorophenyl)-4-oxobutanoic acid; Methyl 4-(4-benzyloxy-2-methoxyphenyl)-4-oxobutanoate or derivatives for treatment of insulin resistance syndrome, diabetes, cachexia, hyperlipidemia, fatty liver disease, obesity, atherosclerosis or arteriosclerosis WELLSTAT THERAPEUTICS CORPORATION (US) 2010-01-12 US claimed
US-20060035970-A1 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION 2006-02-16 US claimed
EP-1556085-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Wellstat Therapeutics Corporation (US) 2005-07-27 EP claimed
WO-2004041165-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2004-05-21 WO claimed
US-7645772-B2 4-(4-benzyloxy-3-chlorophenyl)-4-oxobutanoic acid; Methyl 4-(4-benzyloxy-2-methoxyphenyl)-4-oxobutanoate or derivatives for treatment of insulin resistance syndrome, diabetes, cachexia, hyperlipidemia, fatty liver disease, obesity, atherosclerosis or arteriosclerosis WELLSTAT THERAPEUTICS CORPORATION (US) 2010-01-12 US disclosed
US-20060035970-A1 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION 2006-02-16 US disclosed
EP-1556085-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Wellstat Therapeutics Corporation (US) 2005-07-27 EP disclosed
WO-2004041165-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2004-05-21 WO disclosed