SCHEMBL3836055

SCHEMBL3836055

CCCCOC(=O)C(C(=O)OCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
ESR1 P03372 4/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 3/20 0.32
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
NR1H2 P55055 1/20 0.32
RNASEL Q05823 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR2 P34972 5/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL28872498 0.83 GAA (0.37) GAAPKMHTTESR1ALDH1A1
SCHEMBL21822067 0.83 GAA (0.37) GAAPKMHTTALDH1A1KDM4E
SCHEMBL8027514 0.83 GAA (0.33) GAAPKMHTT
SCHEMBL21295451 0.82 GAA (0.37) GAAPKMHTTESR1ALDH1A1
SCHEMBL4278713 0.82 ALDH1A1 (0.37) ESR1ALDH1A1LMNATSHRCYP1A2
SCHEMBL1719502 0.81 GAA (0.35) GAAPKMHTTESR1ALDH1A1
SCHEMBL3788042 0.81 GAA (0.35) GAAPKMHTTALDH1A1KDM4E
SCHEMBL10487560 0.79 GAA (0.38) GAAPKMHTTALDH1A1KDM4E
SCHEMBL7759198 0.78 GAA (0.37) GAAPKMHTTESR1ALDH1A1
SCHEMBL3450269 0.78 GAA (0.37) GAAPKMHTTALDH1A1KDM4E

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-1903074-B1 RESIN COMPOSITION ZEON CORP (JP) 2009-10-14 EP disclosed
US-4426471-A TETRAALKYLPIPERIDINES CIBA-GEIGY CORPORATION (US) 1984-01-17 US disclosed