SCHEMBL3170758

SCHEMBL3170758

O=C(O)CCC(=O)c1ccc(OCC2CC2)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.50
FFAR4 Q5NUL3 1/20 0.49
PDE4B Q07343 4/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
ACACB O00763 1/20 0.43
P2RX3 P56373 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 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
SCHEMBL1015121 0.85 KMO (0.58) KMOPDE4BPDE4APDE4CPDE4D
SCHEMBL1013024 0.82 KMO (0.52) KMOFFAR4PDE4BACACBPDE4A
SCHEMBL4257689 0.81 KMT2A (0.55) THRATHRB
SCHEMBL2090182 0.81 KMO (0.46) KMOPDE4BACACBPDE4APDE4C
SCHEMBL8354077 0.80 THRA (0.43) THRATHRB
SCHEMBL18910042 0.80 FFAR4 (0.58) KMOFFAR4THRATHRBP2RX3
SCHEMBL663986 0.80 MAP4K4 (0.54) KMO
SCHEMBL1391337 0.78 KMO (0.49) KMOPDE4BACACBPDE4APDE4C
SCHEMBL2088066 0.77 PARP15 (0.62) PDE4B
SCHEMBL9263449 0.77 ALDH1A1 (0.57) PDE4BPDE4D

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