SCHEMBL10418864

CCCCCCCCCCOc1ccc(C(=O)N[C@H]2[C@H](OCc3ccccc3)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)c2ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c2)cc1OCCCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CA1	P00915	2/20	0.42

▸	CA2	P00918	2/20	0.42

▸	CA9	Q16790	2/20	0.42

▸	MAPK1	P28482	1/20	0.42

▸	LGALS3	P17931	4/20	0.42

▸	LGALS8	O00214	2/20	0.41

▸	CNR2	P34972	1/20	0.40

▸	SMPD1	P17405	4/20	0.40

▸	SELP	P16109	1/20	0.39

▸	LGALS9	O00182	2/20	0.39

▸	LGALS1	P09382	2/20	0.39

▸	LGALS7; LGALS7B	P47929	2/20	0.39

▸	SSTR2	P30874	2/20	0.38

▸	SSTR3	P32745	2/20	0.38

▸	SSTR5	P35346	2/20	0.38

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
SCHEMBL10418866	1.00	CA1 (0.42)	CA1CA2CA9MAPK1LGALS3
SCHEMBL8434876	0.92	TLR4 (0.43)	CA1CA2CA9MAPK1LGALS3
SCHEMBL8434878	0.92	TLR4 (0.43)	CA1CA2CA9MAPK1LGALS3
SCHEMBL10417891	0.88	CA1 (0.41)	CA1CA2CA9MAPK1LGALS3
SCHEMBL10419023	0.88	CA1 (0.47)	CA1CA2CA9MAPK1LGALS3
SCHEMBL10419025	0.88	CA1 (0.47)	CA1CA2CA9MAPK1LGALS3
SCHEMBL8433586	0.82	SSTR5 (0.37)	CNR2SMPD1SELPSSTR2SSTR3
SCHEMBL9511501	0.80	L3MBTL1 (0.40)	CNR2SMPD1
SCHEMBL10419817	0.80	TLR4 (0.47)	CA1CA2CA9LGALS3LGALS8
SCHEMBL10419818	0.80	TLR4 (0.47)	CA1CA2CA9LGALS3LGALS8

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-4925929-A	ANTITUMOR AGENTS	ONO PHARMACEUTICAL CO. LTD. (JP)	1990-05-15	—	—	US	disclosed