SCHEMBL3630952

C=CCOC(=O)c1cccc(COc2ccc3c(=O)c(-c4ccc(NS(C)(=O)=O)cc4)coc3c2)c1.COC(=O)c1cccc(COc2ccc3c(=O)c(-c4ccc(NS(C)(=O)=O)cc4)coc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH2	P05091	16/20	0.51

▸	MAOA	P21397	4/20	0.51

▸	MAOB	P27338	4/20	0.51

▸	MAPT	P10636	2/20	0.44

▸	ALDH1A1	P00352	1/20	0.44

▸	PRKDC	P78527	1/20	0.43

▸	TERT	O14746	1/20	0.43

▸	GAA	P10253	1/20	0.41

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
SCHEMBL2110415	0.98	ALDH2 (0.53)	ALDH2MAOAMAOBMAPTALDH1A1
SCHEMBL2107625	0.93	ALDH2 (0.52)	ALDH2MAOAMAOBMAPTALDH1A1
SCHEMBL2107287	0.89	ALDH2 (0.53)	ALDH2MAOAMAOBMAPTALDH1A1
SCHEMBL2110738	0.88	ALDH2 (0.49)	ALDH2MAOAMAOBMAPTALDH1A1
SCHEMBL2110736	0.87	ALDH2 (0.49)	ALDH2MAOAMAOBMAPTALDH1A1
SCHEMBL2107421	0.86	ALDH2 (0.68)	ALDH2MAOAMAOB
SCHEMBL2107596	0.86	ALDH2 (0.54)	ALDH2MAOAMAOBMAPTALDH1A1
SCHEMBL29434200	0.86	ALDH2 (0.54)	ALDH2MAOAMAOBMAPTALDH1A1
SCHEMBL30562191	0.86	ALDH2 (0.54)	ALDH2MAOAMAOBMAPTALDH1A1
SCHEMBL2108680	0.85	ALDH2 (0.47)	ALDH2MAOAMAOBMAPTALDH1A1

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-2254878-A1	ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION	Gilead Palo Alto, Inc. (US)	2010-12-01	—	—	EP	disclosed
WO-2009094028-A1	ALDH-2 INHIBITORS IN THE TREATMENT OF ADDICTION	CV THERAPEUTICS, INC. (US)	2009-07-30	—	—	WO	disclosed