SCHEMBL6502839

SCHEMBL6502839

COC(=O)C(C)=CC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NFE2L2 Q16236 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 2/20 0.49
THRB P10828 1/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 3/20 0.47
AKT1 P31749 3/20 0.46
HDAC3 O15379 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL6502837 1.00 MAPT (0.53) MAPTRAB9ANPC1SMN1; SMN2NFE2L2
SCHEMBL2232370 0.83 NFE2L2 (0.53) MAPTRAB9ANPC1SMN1; SMN2NFE2L2
SCHEMBL28546110 0.83 NFE2L2 (0.53) MAPTRAB9ANPC1SMN1; SMN2NFE2L2
SCHEMBL3310563 0.83 NFE2L2 (0.53) MAPTRAB9ANPC1SMN1; SMN2NFE2L2
SCHEMBL2232374 0.83 NFE2L2 (0.53) MAPTRAB9ANPC1SMN1; SMN2NFE2L2
SCHEMBL28760212 0.82 MEN1 (0.49) MAPTRAB9ANPC1SMN1; SMN2NFE2L2
SCHEMBL4732473 0.81 NFE2L2 (0.52) MAPTRAB9ANPC1SMN1; SMN2NFE2L2
SCHEMBL9873850 0.81 ALDH1A1 (0.53) MAPTRAB9ANPC1SMN1; SMN2NFE2L2
SCHEMBL2791186 0.80 NFE2L2 (0.59) MAPTRAB9ANPC1SMN1; SMN2NFE2L2
SCHEMBL8104632 0.80 NFE2L2 (0.59) MAPTRAB9ANPC1SMN1; SMN2NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005035497-A1 CASPASE INHIBITOR COMPRISING 2-ALKYL-4-OXOBUTANOYL GROUP AND PHARMACEUTICAL COMPOSITION THEREOF LG LIFE SCIENCES LTD. (KR) 2005-04-21 WO disclosed
US-20030032736-A1 Acrylic adhesive compositions containing ketonyl (meth)acrylate KNEAFSEY BRENDAN J (IE) 2003-02-13 US disclosed
WO-2001051576-A1 ACRYLIC ADHESIVE COMPOSITIONS CONTAINING KETONYL (METH)ACRYLATE LOCTITE (R & D) LIMITED (IE) 2001-07-19 WO disclosed