SCHEMBL3177465

SCHEMBL3177465

CCOC(=O)CCC(=O)c1ccc(OCC2CCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 5/20 0.58
PARP10 Q53GL7 5/20 0.58
PARP2 Q9UGN5 2/20 0.52
FFAR1 O14842 1/20 0.50
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
EGFR P00533 1/20 0.43

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
SCHEMBL10989202 0.84 PARP15 (0.64) PARP15PARP10PARP2FFAR1LMNA
SCHEMBL2087149 0.82 NR1H4 (0.45) PARP15PARP10PARP2HPGD
SCHEMBL20325948 0.81 PARP10 (0.62) PARP15PARP10PARP2FFAR1HPGD
SCHEMBL11822677 0.79 ALDH1A1 (0.53) LMNAALDH1A1HPGDMAPTHTT
SCHEMBL7755640 0.79 ALDH1A1 (0.53) LMNAALDH1A1HPGDMAPTHTT
SCHEMBL11829139 0.78 ALDH1A1 (0.51) LMNAALDH1A1HPGDNPC1MAPT
SCHEMBL6958286 0.77 PARP10 (0.72) PARP15PARP10PARP2FFAR1LMNA
SCHEMBL12133169 0.76 LMNA (0.71) LMNAALDH1A1L3MBTL1TSHRUSP2
SCHEMBL2088066 0.76 PARP15 (0.62) PARP15PARP10PARP2FFAR1LMNA
SCHEMBL10932224 0.76 PARP10 (0.70) PARP15PARP10PARP2FFAR1ALDH1A1

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