Alcohol

SCHEMBL7744901

CCO.Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[C@H](NC(=O)C2(CCCCS(C)(=O)=O)CCCC2)C(=O)O)cc1

nearest known ligand 0.61

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 Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB1	P05556	20/20	0.61

▸	ITGA4	P13612	20/20	0.61

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
SCHEMBL6824370	0.98	ITGB1 (0.64)	ITGB1ITGA4
Alcohol SCHEMBL7736869	0.89	ITGB1 (0.61)	ITGB1ITGA4
SCHEMBL6827810	0.87	ITGB1 (0.63)	ITGB1ITGA4
SCHEMBL27521210	0.84	ITGB1 (0.51)	ITGB1ITGA4
SCHEMBL27521209	0.84	ITGB1 (0.51)	ITGB1ITGA4
Alcohol SCHEMBL7736841	0.83	ITGB1 (0.79)	ITGB1ITGA4
SCHEMBL6627599	0.83	ITGB1 (0.60)	ITGB1ITGA4
SCHEMBL6627412	0.80	ITGB1 (0.63)	ITGB1ITGA4
SCHEMBL6829602	0.80	ITGB1 (0.83)	ITGB1ITGA4
SCHEMBL6627364	0.77	ITGB1 (0.73)	ITGB1ITGA4

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
US-6420600-B1	HYDROXYALKYLPHENYLDIAMIDES	HOFFMAN-LA ROCHE INC.	2002-07-16	—	—	US	disclosed