Butanone

SCHEMBL6931341

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nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	5/20	0.48

▸	TDP1	Q9NUW8	1/20	0.48

▸	TSHR	P16473	1/20	0.38

▸	CES2	O00748	1/20	0.34

▸	RECQL	P46063	1/20	0.33

▸	MGAM	O43451	1/20	0.33

▸	GAA	P10253	1/20	0.33

▸	SI	P14410	1/20	0.33

▸	MGAM2	Q2M2H8	1/20	0.33

▸	ACHE	P22303	7/20	0.32

▸	SMN1; SMN2	Q16637	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.

Compound	similarity	top predicted	shared targets
Acetone SCHEMBL28164626	0.87	ALDH1A1 (0.46)	ALDH1A1TDP1TSHRRECQLMGAM
Butanone SCHEMBL11154249	0.85	ALDH1A1 (0.53)	ALDH1A1TDP1TSHRCES2MGAM
Acetic Acid SCHEMBL9860275	0.85	ALDH1A1 (0.50)	ALDH1A1TDP1TSHRRECQLGAA
Butanone SCHEMBL10338781	0.85	ALDH1A1 (0.53)	ALDH1A1TDP1TSHRCES2MGAM
Butanone SCHEMBL8359739	0.83	ALDH1A1 (0.52)	ALDH1A1TDP1TSHRCES2
Acetic Acid Methyl Ester SCHEMBL3409709	0.83	ALDH1A1 (0.50)	ALDH1A1TDP1TSHRRECQLMGAM
Butanone SCHEMBL28208826	0.82	ALDH1A1 (0.62)	ALDH1A1TDP1TSHRCES2MGAM
SCHEMBL4742	0.82	—	—
Methyl Alcohol SCHEMBL14861499	0.79	—	—
Hydrogen Peroxide SCHEMBL8586801	0.79	—	—

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0908307-B1	A method for making positive printing plates from a heat mode sensitive imaging element	AGFA GEVAERT (BE)	2003-11-26	—	—	EP	disclosed