Hexane

SCHEMBL28121925

CC(C)(C)OC(=O)NC(O)(CCc1ccccc1)C(=O)O.CCCCCC.CCOC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CTSK	P43235	9/20	0.45

▸	CTSS	P25774	1/20	0.41

▸	MBOAT4	Q96T53	1/20	0.41

▸	ALDH1A1	P00352	2/20	0.40

▸	RECQL	P46063	1/20	0.40

▸	SYK	P43405	1/20	0.40

▸	CA12	O43570	1/20	0.40

▸	CA1	P00915	1/20	0.40

▸	CA7	P43166	1/20	0.40

▸	CA14	Q9ULX7	1/20	0.40

▸	AKT1	P31749	2/20	0.38

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
SCHEMBL6342947	0.86	CA12 (0.50)	CTSKCTSSSYKCA12CA1
SCHEMBL9218191	0.86	CA12 (0.50)	CTSKCTSSSYKCA12CA1
SCHEMBL8951255	0.86	CA12 (0.50)	CTSKCTSSSYKCA12CA1
SCHEMBL5699570	0.79	GAA (0.49)	CTSKALDH1A1RECQL
SCHEMBL15757259	0.75	CTSK (0.43)	CTSKCTSSCA12CA1CA7
SCHEMBL6245825	0.74	CTSS (0.51)	CTSKCTSSALDH1A1CA12CA1
SCHEMBL3425341	0.74	CA12 (0.49)	CTSKCTSSALDH1A1RECQLSYK
SCHEMBL8442388	0.74	KMT2A (0.53)	ALDH1A1CA12CA1
SCHEMBL22059597	0.74	CA12 (0.49)	CTSKCTSSALDH1A1RECQLSYK
SCHEMBL8442319	0.74	KMT2A (0.53)	ALDH1A1CA12CA1

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
CN-104496843-B	Method for synthesizing ubenimex	山东益康药业股份有限公司	2017-02-22	—	—	CN	disclosed