SCHEMBL11297831

SCHEMBL11297831

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.43
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GALR3 O60755 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.37
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
AGTR1 P30556 1/20 0.35
HMGCR P04035 1/20 0.34
TSHR P16473 2/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL11494234 0.95 GAA (0.49) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL11294112 0.94 GAA (0.47) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL11494218 0.84 ALDH1A1 (0.39) GAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL11298586 0.83 GAA (0.46) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL11292531 0.83 GAA (0.50) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL11295074 0.83 GAA (0.50) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL11494223 0.83 TDP1 (0.35) GAAKMT2A
SCHEMBL14508970 0.82 GAA (0.52) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL17636821 0.82 GAA (0.54) GAAKMT2AMEN1HTTSMN1; SMN2
SCHEMBL15342878 0.81 GAA (0.53) 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 2 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
US-4153597-A STABILIZERS UNIROYAL, INC. (US) 1979-05-08 US disclosed