SCHEMBL11295074

SCHEMBL11295074

CC(C)(C)c1cc(CCC(=O)OCC(C)(C)[N+](=O)[O-])cc(C(C)(C)C)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.50
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.45
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GALR3 O60755 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 2/20 0.38
BLM P54132 2/20 0.38
ATM Q13315 2/20 0.38
HIF1A Q16665 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
AGTR1 P30556 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL11292531 0.90 GAA (0.50) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL11294112 0.86 GAA (0.47) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL11494234 0.85 GAA (0.49) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL30209 0.83 GAA (0.57) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL205264 0.83 GAA (0.57) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL234228 0.83 GAA (0.57) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL13302847 0.83 GAA (0.57) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL11297831 0.83 GAA (0.47) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL208761 0.83 GAA (0.60) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL858494 0.83 GAA (0.60) GAAKMT2AMEN1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0006745-B1 NITRO-CONTAINING ESTERS OF A SUBSTITUTED PHENYLPROPIONIC ACID, COMPOSITIONS CONTAINING THEM AS STABILIZING AGENT AGAINST OXIDATIVE DEGRADATION, AND STABILIZER COMPOSITIONS UNIROYAL, INC. (US) 1982-11-10 EP disclosed
EP-0006745-A1 Nitro-containing esters of a substituted phenylpropionic acid, compositions containing them as stabilizing agent against oxidative degradation, and stabilizer compositions UNIROYAL, INC. (US) 1980-01-09 EP disclosed
US-4153597-A STABILIZERS UNIROYAL, INC. (US) 1979-05-08 US disclosed