SCHEMBL8771894

SCHEMBL8771894

CCCCC(CC)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(OC(=O)CC(=O)O)(C1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
BLM P54132 1/20 0.30
ATM Q13315 1/20 0.30
HIF1A Q16665 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
F2R P25116 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
SCHEMBL22260997 0.82 GAA (0.34) GAAPKMHTTKMT2AMEN1
SCHEMBL28207783 0.81 NR5A2 (0.35) GAAPKMHTTALDH1A1F2R
SCHEMBL22260995 0.77 GAA (0.36) GAAPKMHTTKMT2AMEN1
SCHEMBL697944 0.77 GAA (0.34) GAAPKMHTTKMT2AMEN1
SCHEMBL224191 0.76 GAA (0.34) GAAPKMHTTKMT2AMEN1
SCHEMBL224189 0.76 GAA (0.32) GAAPKMHTTKMT2AMEN1
SCHEMBL8771932 0.75 GAA (0.33) GAAPKMHTTKMT2A
SCHEMBL5468888 0.75 VCAM1 (0.33) GAAPKMHTTALDH1A1
SCHEMBL28473328 0.74 GAA (0.36) GAAPKMHTTKMT2AMEN1
SCHEMBL501538 0.74

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