SCHEMBL4450871

SCHEMBL4450871

CCC(CC(=O)O)c1ccc(OC)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
FFAR1 O14842 2/20 0.50
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
TNF P01375 1/20 0.44
PKM P14618 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACHE P22303 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL3658199 0.82 GAA (0.57) GAAFFAR1ALDH1A1TNFPDE4A
SCHEMBL1682681 0.82 GAA (0.77) GAAFFAR1ALDH1A1PDE4DTDP1
SCHEMBL3657093 0.82 GAA (0.57) GAAFFAR1ALDH1A1TNFPDE4A
SCHEMBL14408318 0.81 ALDH1A1 (0.47) GAAFFAR1ALDH1A1CYP1A2CYP2D6
SCHEMBL3659654 0.81 GAA (0.56) GAAFFAR1TNFPDE4APDE4B
SCHEMBL3655663 0.81 GAA (0.56) GAAFFAR1TNFPDE4APDE4B
SCHEMBL2495059 0.79 AKR1C3 (0.58) GAAALDH1A1CYP1A2CYP2D6HPGD
SCHEMBL4459435 0.77 GAA (0.48) GAAFFAR1
SCHEMBL11225638 0.76 FFAR1 (0.56) GAAFFAR1TNFPOLBACHE
SCHEMBL28628025 0.76 FFAR1 (0.59) GAAFFAR1ALDH1A1CYP1A2CYP2D6

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