SCHEMBL4730249

SCHEMBL4730249

CCC(=O)c1ccc(OC(CC)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
PPARG P37231 13/20 0.51
PPARA Q07869 13/20 0.51
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
ABCB1 P08183 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
SCHEMBL30539449 0.87 PPARG (0.60) SMN1; SMN2PPARGPPARAMAPTL3MBTL1
SCHEMBL5010216 0.87 SMN1; SMN2 (0.56) SMN1; SMN2PPARGPPARAL3MBTL1NPC1
SCHEMBL2231218 0.86 SMN1; SMN2 (0.63) SMN1; SMN2PPARGPPARAHTT
SCHEMBL2561889 0.85 PPARG (0.68) SMN1; SMN2PPARGPPARAMAPTL3MBTL1
Methane SCHEMBL27838357 0.85 SMN1; SMN2 (0.61) SMN1; SMN2PPARGPPARAHTT
SCHEMBL5004494 0.84 SMN1; SMN2 (0.54) SMN1; SMN2PPARGPPARAL3MBTL1NPC1
SCHEMBL1532659 0.83 SMN1; SMN2 (0.59) SMN1; SMN2PPARGPPARAALDH1A1
SCHEMBL4895944 0.83 SMN1; SMN2 (0.55) SMN1; SMN2PPARGPPARA
SCHEMBL11550284 0.82 SMN1; SMN2 (0.67) SMN1; SMN2PPARGPPARA
SCHEMBL19486253 0.82 SMN1; SMN2 (0.58) SMN1; SMN2PPARGPPARA

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
WO-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO disclosed