SCHEMBL11298586

SCHEMBL11298586

CCCCC(C)(COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.40
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GALR3 O60755 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
LMNA P02545 1/20 0.34
AGTR1 P30556 1/20 0.34
HMGCR P04035 1/20 0.34
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL11494234 0.85 GAA (0.49) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL11297831 0.83 GAA (0.47) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL11295074 0.82 GAA (0.50) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL19407821 0.81 GAA (0.50) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL11294112 0.81 GAA (0.47) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL2603374 0.80 GAA (0.56) GAAKMT2AMEN1HTTPKM
SCHEMBL16426455 0.78 GAA (0.54) GAAKMT2AMEN1HTTPKM
SCHEMBL17636821 0.78 GAA (0.54) GAAKMT2AMEN1HTTSMN1; SMN2
Butane SCHEMBL11489929 0.78 GAA (0.59) 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