SCHEMBL4458648

SCHEMBL4458648

CCCCCC(=O)c1cc(C(CC)CC(=O)O)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FFAR1 O14842 1/20 0.44
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PAK1 Q13153 1/20 0.39
HTT P42858 1/20 0.39
TNF P01375 1/20 0.39
EPHX2 P34913 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL4459435 0.80 GAA (0.48) GAAFFAR1PPARGPPARA
SCHEMBL4450871 0.76 GAA (0.54) GAATDP1L3MBTL1FFAR1ALDH1A1
SCHEMBL3658199 0.75 GAA (0.57) GAAFFAR1ALDH1A1SMN1; SMN2TNF
SCHEMBL1682681 0.75 GAA (0.77) GAATDP1FFAR1ALDH1A1CYP3A4
SCHEMBL3657093 0.75 GAA (0.57) GAAFFAR1ALDH1A1SMN1; SMN2TNF
SCHEMBL10600889 0.75 GAA (0.67) GAATDP1L3MBTL1MEN1KMT2A
SCHEMBL8078006 0.75 GAA (0.67) GAATDP1L3MBTL1MEN1KMT2A
SCHEMBL10599678 0.75 GAA (0.67) GAATDP1L3MBTL1MEN1KMT2A
SCHEMBL10350216 0.75 ALOX15 (0.55) GAACYP2C9MEN1KMT2A
SCHEMBL4449086 0.74 GAA (0.46) GAAFFAR1ALDH1A1SMN1; SMN2TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482484-B2 Carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2009-01-27 US disclosed