SCHEMBL4449086

SCHEMBL4449086

CCCCC=Cc1cc(C(CC)CC(=O)O)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
PDE5A O76074 1/20 0.43
FFAR1 O14842 1/20 0.42
TNF P01375 1/20 0.38
LTA4H P09960 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
BACE1 P56817 1/20 0.36
OXER1 Q8TDS5 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL8086134 0.78 CA12 (0.51) PDE5ALTA4HALDH1A1
SCHEMBL8086133 0.78 CA12 (0.51) PDE5ALTA4HALDH1A1
SCHEMBL4459435 0.75 GAA (0.48) GAAFFAR1
SCHEMBL4458648 0.74 GAA (0.47) GAAFFAR1TNFSMN1; SMN2ALDH1A1
SCHEMBL4450871 0.74 GAA (0.54) GAAFFAR1TNFPDE4APDE4B
SCHEMBL3657093 0.73 GAA (0.57) GAAFFAR1TNFPDE4APDE4B
SCHEMBL1682681 0.73 GAA (0.77) GAAFFAR1PDE4DALDH1A1
SCHEMBL3658199 0.73 GAA (0.57) GAAFFAR1TNFPDE4APDE4B
SCHEMBL3659654 0.72 GAA (0.56) GAAFFAR1TNFPDE4APDE4B
SCHEMBL3655663 0.72 GAA (0.56) GAAFFAR1TNFPDE4APDE4B

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