SCHEMBL9155195

CN(c1nc(NCC(=O)OCCCCOC(=O)CNc2nc(N(C)C3CC(C)(C)NC(C)(C)C3)nc(N(C)C3CC(C)(C)NC(C)(C)C3)n2)nc(N(C)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	GAA	P10253	1/20	0.37

▸	ALOX15	P16050	1/20	0.34

▸	ALDH1A1	P00352	1/20	0.31

▸	HPGD	P15428	1/20	0.31

▸	PPARG	P37231	1/20	0.31

▸	NCOA2	Q15596	1/20	0.31

▸	NCOA1	Q15788	1/20	0.31

▸	NPSR1	Q6W5P4	1/20	0.31

▸	RXFP1	Q9HBX9	1/20	0.31

▸	NCOA3	Q9Y6Q9	1/20	0.31

▸	KCNH2	Q12809	1/20	0.31

▸	MAPK1	P28482	1/20	0.30

▸	KMT2A	Q03164	1/20	0.30

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
SCHEMBL9091419	0.99	GAA (0.36)	GAAALOX15ALDH1A1HPGDPPARG
SCHEMBL9164287	0.99	GAA (0.36)	GAAALOX15ALDH1A1HPGDPPARG
SCHEMBL9091643	0.90	MAPK1 (0.39)	GAAALOX15ALDH1A1HPGDNPSR1
SCHEMBL9088585	0.87	GAA (0.33)	GAAALDH1A1HPGDPPARGNCOA2
SCHEMBL9090692	0.84	ALDH1A1 (0.35)	GAAALDH1A1HPGDPPARGNCOA2
SCHEMBL9157858	0.82	GAA (0.34)	GAAALOX15MAPK1KMT2A
1,4-Butanediol SCHEMBL9155217	0.81	ALOX15 (0.37)	GAAALOX15KCNH2
Ethylene SCHEMBL9157854	0.81	GAA (0.33)	GAAMAPK1
1,6-Hexanediol SCHEMBL9164328	0.80	ALOX15 (0.37)	GAAALOX15KCNH2
SCHEMBL9091437	0.80	ALOX15 (0.37)	GAAALOX15KCNH2

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-5446144-A	Heat and light resistance	SANKYO COMPANY, LIMITED (JP)	1995-08-29	—	—	US	disclosed