Butyl Alcohol

SCHEMBL4091034

CC(=O)C(C)O.CC(C)=O.CCCC(=O)O[C@@H]([C@H](O)[C@H](O)CO)[C@H](C=O)OC(C)=O.CCCCO.CCO

nearest known ligand 0.32

Known targets — ChEMBL curated mechanism

MMP1 MMP13 MMP7 MMP8 pol rplA rplB rplC rplD rplE rplF rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmC rpmD rpmE rpmF rpmG rpmH rpmI rpmJ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU ykgM ykgO

The experimentally established mechanism targets of Butyl Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	PRKCA	P17252	3/20	0.32

▸	MAPT	P10636	1/20	0.31

▸	MAPK1	P28482	1/20	0.31

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
SCHEMBL4604011	0.88	PRKCA (0.33)	PRKCAMAPTMAPK1
SCHEMBL4604007	0.83	PRKCA (0.33)	PRKCAMAPTMAPK1
SCHEMBL4605190	0.78	ALDH1A1 (0.34)	MAPTMAPK1
SCHEMBL4605186	0.78	ALDH1A1 (0.34)	MAPTMAPK1
SCHEMBL4606284	0.78	—	—
SCHEMBL8201074	0.77	MAPT (0.51)	PRKCAMAPTMAPK1
SCHEMBL11506064	0.77	MAPT (0.51)	PRKCAMAPTMAPK1
SCHEMBL8179685	0.77	MAPT (0.51)	PRKCAMAPTMAPK1
SCHEMBL7681610	0.76	TDP1 (0.33)	—
Acetone SCHEMBL28329344	0.75	MAPT (0.34)	PRKCAMAPTMAPK1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2102351-A1	METHOD FOR PREPARING BUTANOL THROUGH BUTYRYL-COA AS AN INTERMEDIATE USING BACTERIA	Biofuelchem Co., Ltd. (KR)	2009-09-23	—	—	EP	disclosed
WO-2008072920-A1	METHOD FOR PREPARING BUTANOL THROUGH BUTYRYL-COA AS AN INTERMEDIATE USING BACTERIA	BIOFUELCHEM CO., LTD. (KR)	2008-06-19	—	—	WO	disclosed