Butenone

Butenone

SCHEMBL6401376

CC(=O)C=Cc1ccccc1.CC(=O)C=Cc1ccccc1.CC(=O)C=Cc1ccccc1.CC(=O)C=Cc1ccccc1.[Pd].[Pd]

nearest known ligand 0.95

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.95
GLA P06280 1/20 0.95
MAPT P10636 4/20 0.64
LMNA P02545 3/20 0.64
ALDH1A1 P00352 3/20 0.64
HDAC3 O15379 2/20 0.64
HDAC4 P56524 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
PLIN1 O60240 2/20 0.64
RECQL P46063 2/20 0.64
PLIN5 Q00G26 2/20 0.64
ABHD5 Q8WTS1 2/20 0.64
F3 P13726 2/20 0.64
TNKS O95271 1/20 0.64
HCAR2 Q8TDS4 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC10 Q969S8 1/20 0.64

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
Butenone SCHEMBL792625 1.00 TDP1 (0.95) TDP1GLAMAPTLMNAALDH1A1
Butenone SCHEMBL490740 1.00 TDP1 (0.95) TDP1GLAMAPTLMNAALDH1A1
Butenone SCHEMBL2891566 1.00 TDP1 (0.95) TDP1GLAMAPTLMNAALDH1A1
Butenone SCHEMBL5788285 1.00 TDP1 (0.95) TDP1GLAMAPTLMNAALDH1A1
Butenone SCHEMBL699144 1.00 TDP1 (0.95) TDP1GLAMAPTLMNAALDH1A1
Butenone SCHEMBL29739250 1.00 TDP1 (0.95) TDP1GLAMAPTLMNAALDH1A1
Butenone SCHEMBL4306181 1.00 TDP1 (0.95) TDP1GLAMAPTLMNAALDH1A1
Butenone SCHEMBL7053850 1.00 TDP1 (0.95) TDP1GLAMAPTLMNAALDH1A1
Butenone SCHEMBL12984182 0.98 TDP1 (1.00) TDP1GLAMAPTLMNAALDH1A1
Butenone SCHEMBL76632 0.98 TDP1 (1.00) TDP1GLAMAPTLMNAALDH1A1

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
US-6878691-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2005-04-12 US disclosed