SCHEMBL8208364

CCOC(=O)CSc1c2c(c(C(OC(c3c4c(c(SCC(=O)OCC)c5c3OC(C)(C)O5)OC(C)(C)O4)(c3c4c(c(SCC(=O)OCC)c5c3SC(C)(C)S5)SC(C)(C)S4)c3c4c(c(SCC(=O)OCC)c5c3SC(C)(C)S5)SC(C)(C)S4)(c3c4c(c(SCC(=O)OCC)c5c3SC(C)(C)S5)SC(C)(C)S4)c3c4c(c(SCC(=O)OCC)c5c3SC(C)(C)S5)SC(C)(C)S4)c3c1OC(C)(C)O3)OC(C)(C)O2

nearest known ligand 0.34

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	5/20	0.34

▸	HSD17B10	Q99714	3/20	0.34

▸	HPGD	P15428	2/20	0.34

▸	SMN1; SMN2	Q16637	2/20	0.34

▸	MEN1	O00255	1/20	0.34

▸	LMNA	P02545	1/20	0.34

▸	KMT2A	Q03164	1/20	0.34

▸	ESR1	P03372	1/20	0.32

▸	POLB	P06746	1/20	0.31

▸	KDM4E	B2RXH2	1/20	0.31

▸	GAA	P10253	1/20	0.31

▸	APOBEC3G	Q9HC16	1/20	0.31

▸	L3MBTL1	Q9Y468	1/20	0.31

▸	RAB9A	P51151	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
SCHEMBL8210509	1.00	ALDH1A1 (0.34)	ALDH1A1HSD17B10HPGDSMN1; SMN2MEN1
SCHEMBL8048144	0.88	ALDH1A1 (0.35)	ALDH1A1HSD17B10HPGDSMN1; SMN2MEN1
SCHEMBL8035909	0.88	ALDH1A1 (0.35)	ALDH1A1HSD17B10HPGDSMN1; SMN2MEN1
SCHEMBL8045320	0.81	ALDH1A1 (0.34)	ALDH1A1HSD17B10HPGDSMN1; SMN2MEN1
SCHEMBL8053655	0.81	ALDH1A1 (0.34)	ALDH1A1HSD17B10HPGDSMN1; SMN2MEN1
SCHEMBL8930709	0.78	ALDH1A1 (0.40)	ALDH1A1HSD17B10HPGDSMN1; SMN2MEN1
SCHEMBL8930699	0.74	ALDH1A1 (0.36)	ALDH1A1HSD17B10HPGDSMN1; SMN2MEN1
SCHEMBL8930659	0.72	ALDH1A1 (0.39)	ALDH1A1HSD17B10HPGDSMN1; SMN2MEN1
SCHEMBL9268014	0.72	ALDH1A1 (0.35)	ALDH1A1HSD17B10HPGDSMN1; SMN2MEN1
SCHEMBL8930648	0.71	KDM4E (0.38)	ALDH1A1HSD17B10HPGDSMN1; SMN2MEN1

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
EP-0832054-B1	HETEROCYCLIC METHYL FREE RADICALS AS IMAGE ENHANCING AGENTS	NYCOMED IMAGING AS (NO)	2000-12-27	—	—	EP	disclosed