SCHEMBL4726475

SCHEMBL4726475

CCC(=NO)c1ccc(OC(CC)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
PPARG P37231 15/20 0.51
PPARA Q07869 15/20 0.51
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4726473 1.00 SMN1; SMN2 (0.57) SMN1; SMN2PPARGPPARAPKML3MBTL1
SCHEMBL4731335 0.89 SMN1; SMN2 (0.55) SMN1; SMN2PPARGPPARA
SCHEMBL6113119 0.82 SMN1; SMN2 (0.54) SMN1; SMN2PPARGPPARAL3MBTL1MAPT
SCHEMBL6113115 0.82 SMN1; SMN2 (0.54) SMN1; SMN2PPARGPPARAL3MBTL1MAPT
SCHEMBL4730249 0.81 SMN1; SMN2 (0.59) SMN1; SMN2PPARGPPARAL3MBTL1MAPT
SCHEMBL2231218 0.81 SMN1; SMN2 (0.63) SMN1; SMN2PPARGPPARAKMT2A
SCHEMBL2561889 0.80 PPARG (0.68) SMN1; SMN2PPARGPPARAL3MBTL1MAPT
Methane SCHEMBL27838357 0.80 SMN1; SMN2 (0.61) SMN1; SMN2PPARGPPARAKMT2A
SCHEMBL1532659 0.78 SMN1; SMN2 (0.59) SMN1; SMN2PPARGPPARAKMT2A
SCHEMBL4729785 0.78 PPARG (0.49) SMN1; SMN2PPARGPPARAPKMMAPT

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