Benzylacetone

Benzylacetone

SCHEMBL27902841

CC(=O)CCc1ccccc1.OOO

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.88
KEAP1 Q14145 1/20 0.59
TDP1 Q9NUW8 2/20 0.57
FFAR1 O14842 1/20 0.55
HDAC2 Q92769 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
KDM4E B2RXH2 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HDAC1 Q13547 2/20 0.50
RECQL P46063 1/20 0.50
HDAC3 O15379 1/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
HDAC4 P56524 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50

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
Benzylacetone SCHEMBL1346 0.94 ALDH1A1 (1.00) ALDH1A1KEAP1TDP1FFAR1HDAC2
Benzylacetone SCHEMBL28149192 0.92 ALDH1A1 (0.88) ALDH1A1KEAP1TDP1FFAR1HDAC2
Benzylacetone SCHEMBL27544035 0.92 ALDH1A1 (0.88) ALDH1A1KEAP1TDP1FFAR1HDAC2
Benzylacetone SCHEMBL10786223 0.91 ALDH1A1 (0.95) ALDH1A1KEAP1TDP1FFAR1HDAC2
Benzylacetone SCHEMBL29892054 0.91 ALDH1A1 (0.95) ALDH1A1KEAP1TDP1FFAR1HDAC2
Benzylacetone SCHEMBL23581088 0.91 ALDH1A1 (0.95) ALDH1A1KEAP1TDP1FFAR1HDAC2
Benzylacetone SCHEMBL21048732 0.91 ALDH1A1 (0.95) ALDH1A1KEAP1TDP1FFAR1HDAC2
Benzylacetone SCHEMBL29808345 0.91 ALDH1A1 (0.95) ALDH1A1KEAP1TDP1FFAR1HDAC2
Benzylacetone SCHEMBL11768872 0.91 ALDH1A1 (0.95) ALDH1A1KEAP1TDP1FFAR1HDAC2
Benzylacetone SCHEMBL27300714 0.91 ALDH1A1 (0.95) ALDH1A1KEAP1TDP1FFAR1HDAC2

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
CN-102812520-A Conductive paste and conductive connecting member obtained from the paste FURUKAWA ELECTRIC CO LTD 2012-12-05 CN disclosed