SCHEMBL934472

SCHEMBL934472

COc1cc(C=C(C(=O)OCCC(C)C)C(=O)OCCC(C)C)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
GLO1 Q04760 5/20 0.54
ABL1 P00519 1/20 0.54
IKBKB O14920 1/20 0.51
CHUK O15111 1/20 0.51
IKBKG Q9Y6K9 1/20 0.51
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
TRPV1 Q8NER1 1/20 0.49
EGFR P00533 2/20 0.49
SNCA P37840 2/20 0.48
CYP2D6 P10635 3/20 0.48
APP P05067 3/20 0.48
CYP2C9 P11712 2/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAOB P27338 2/20 0.48

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
SCHEMBL2216850 0.94 MAPT (0.66) MAPTGLO1ABL1IKBKBCHUK
SCHEMBL2903282 0.86 KMT2A (0.60) MAPTALDH1A1KMT2AMEN1EGFR
SCHEMBL29799957 0.83 MAPT (0.70) MAPTGLO1ABL1IKBKBCHUK
SCHEMBL934307 0.83 MAPT (0.70) MAPTGLO1ABL1IKBKBCHUK
SCHEMBL2215798 0.81 MAPT (0.69) MAPTGLO1ABL1IKBKBCHUK
SCHEMBL168150 0.80 MAPT (0.67) MAPTGLO1ABL1IKBKBCHUK
SCHEMBL29601206 0.80 MAPT (0.67) MAPTGLO1ABL1IKBKBCHUK
SCHEMBL8328530 0.80 LMNA (0.63) MAPTALDH1A1KMT2AMEN1CYP2C9
Vanillin SCHEMBL6468390 0.80 ALDH1A1 (0.62) MAPTGLO1ALDH1A1KMT2AMEN1
SCHEMBL2211610 0.80 KDM4E (0.56) MAPTALDH1A1KMT2AMEN1EGFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011006566-A2 MONOMETHOXY-HYDROXY-BENZYLMALONATES MERCK PATENT GMBH (DE) 2011-01-20 WO disclosed