SCHEMBL8431391

CCCCCCCCCCC[C@@H](CC(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@@H]2COC(C)(C)O[C@H]2[C@@H]1OC(=O)CCCCCCCCc1ccc2ccccc2c1)OC(=O)CCCCCCCCc1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	10/20	0.42

▸	SSTR3	P32745	4/20	0.36

▸	SSTR5	P35346	4/20	0.36

▸	MCHR1	Q99705	6/20	0.36

▸	SSTR2	P30874	2/20	0.36

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
SCHEMBL8435522	0.94	TLR4 (0.44)	TLR4
SCHEMBL8431677	0.94	TLR4 (0.44)	TLR4
SCHEMBL8434486	0.94	TLR4 (0.44)	TLR4
SCHEMBL8433665	0.94	TLR4 (0.44)	TLR4
SCHEMBL6800467	0.93	TLR4 (0.46)	TLR4
SCHEMBL6800462	0.93	TLR4 (0.46)	TLR4
SCHEMBL8432987	0.91	TLR4 (0.40)	TLR4MCHR1
SCHEMBL8432989	0.91	TLR4 (0.40)	TLR4MCHR1
SCHEMBL8436537	0.91	TLR4 (0.40)	TLR4MCHR1
SCHEMBL8432789	0.89	SSTR3 (0.45)	SSTR3SSTR5MCHR1SSTR2

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-RE36385-E	TREATMENT OF TUMORS, ENHANCING IMMUNITY	ONO PHARMACEUTICAL CO., LTD. (JP)	1999-11-09	—	—	US	disclosed