SCHEMBL9636056

CCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO[C@@H]2O[C@H](COC(=O)OCC(Cl)(Cl)Cl)[C@@H](OP(=O)(Oc3ccccc3)Oc3ccccc3)[C@H](OC(=O)CNC(=O)CCCCCCCCCCC)[C@@H]2NC(=O)OCC(Cl)(Cl)Cl)O[C@H](OCCOP(c2ccccc2)c2ccccc2)[C@H]1NC(=O)CCCCCNC(=O)CCCCCCC

nearest known ligand 0.35

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	15/20	0.35

▸	LY96	Q9Y6Y9	6/20	0.35

▸	MCHR1	Q99705	2/20	0.31

▸	SSTR2	P30874	1/20	0.30

▸	SSTR3	P32745	1/20	0.30

▸	SSTR5	P35346	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
SCHEMBL9520386	0.97	TLR4 (0.36)	TLR4LY96
SCHEMBL9637604	0.89	TLR4 (0.32)	TLR4LY96
SCHEMBL10530171	0.88	TLR4 (0.38)	TLR4LY96SSTR3SSTR5
SCHEMBL9637333	0.88	TLR4 (0.38)	TLR4LY96SSTR3SSTR5
SCHEMBL9518719	0.87	TLR4 (0.37)	TLR4LY96MCHR1SSTR3SSTR5
SCHEMBL9518764	0.84	LMNA (0.40)	TLR4LY96
SCHEMBL9518759	0.84	LMNA (0.40)	TLR4LY96
SCHEMBL9520085	0.82	—	—
SCHEMBL9519807	0.79	TLR4 (0.40)	TLR4
SCHEMBL9518911	0.79	—	—

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
US-5134230-A	Disaccharide Antitumor Agent Intermediates	DAIICHI PHARMACEUTICAL CO., LTD. (JP)	1992-07-28	—	—	US	disclosed
US-5006647-A	Antitumor agents	DAIICHI SEIYAKU CO., LTD. (JP)	1991-04-09	—	—	US	disclosed