SCHEMBL8771926

SCHEMBL8771926

CCCCC(COC(=O)CC(=O)OCC(CCCC)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC(C1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC(C1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
BLM P54132 1/20 0.31
ATM Q13315 1/20 0.31
HIF1A Q16665 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
IDH1 O75874 1/20 0.30

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
SCHEMBL8771932 0.96 GAA (0.33) GAAPKMHTTKMT2A
SCHEMBL697945 0.80 ALDH1A1 (0.35) GAAPKMHTTKMT2AMEN1
SCHEMBL8659323 0.80 ALDH1A1 (0.34) GAAPKMHTTKMT2AMEN1
SCHEMBL23038441 0.76 ALDH1A1 (0.37) GAAPKMHTTKMT2AMEN1
SCHEMBL3085940 0.76 ALDH1A1 (0.37) GAAPKMHTTKMT2AMEN1
SCHEMBL29612236 0.76 GAA (0.34) GAAPKMHTTKMT2AMEN1
SCHEMBL697947 0.76 ALDH1A1 (0.33) GAAPKMHTTKMT2AMEN1
SCHEMBL21239974 0.74 IDH1 (0.33) GAAPKMHTTALDH1A1ATM
SCHEMBL31364 0.73 GAA (0.36) GAAPKMHTTKMT2AMEN1
SCHEMBL207800 0.73 ALDH1A1 (0.36) GAAPKMHTTKMT2AMEN1

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-0608089-B1 Phenylalkanoic acid esters and their use as antioxidants SANKYO CO (JP) 1997-10-15 EP disclosed
EP-0608089-A1 Phenylalkanoic acid esters and their use as antioxidants SANKYO COMPANY LIMITED (JP) 1994-07-27 EP disclosed