SCHEMBL9518924

CCCCCCCCCCC[C@H](CC(=O)O[C@H]1[C@H](OP(=O)(Oc2ccccc2)Oc2ccccc2)[C@@H](COC(=O)OCC(Cl)(Cl)Cl)OC(OC(C)=O)[C@@H]1NC(=O)OCC(Cl)(Cl)Cl)OC(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	14/20	0.39

▸	LMNA	P02545	3/20	0.38

▸	KMT2A	Q03164	1/20	0.38

▸	CYP3A4	P08684	1/20	0.32

▸	MAPT	P10636	1/20	0.32

▸	CYP2C9	P11712	1/20	0.32

▸	CYP2C19	P33261	1/20	0.32

▸	LY96	Q9Y6Y9	4/20	0.32

▸	ALDH1A1	P00352	1/20	0.32

▸	POLB	P06746	1/20	0.32

▸	TGM2	P21980	1/20	0.31

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
SCHEMBL9518931	1.00	TLR4 (0.39)	TLR4LMNAKMT2ACYP3A4MAPT
SCHEMBL9624885	0.88	TLR4 (0.46)	TLR4LY96
SCHEMBL9624883	0.88	TLR4 (0.46)	TLR4LY96
SCHEMBL9786319	0.88	TLR4 (0.44)	TLR4LY96
SCHEMBL9786324	0.88	TLR4 (0.44)	TLR4LY96
SCHEMBL9518870	0.87	LMNA (0.39)	TLR4LMNAKMT2ACYP3A4MAPT
SCHEMBL9518876	0.87	LMNA (0.39)	TLR4LMNAKMT2ACYP3A4MAPT
SCHEMBL9518764	0.87	LMNA (0.40)	TLR4LMNAKMT2ACYP3A4MAPT
SCHEMBL9518759	0.87	LMNA (0.40)	TLR4LMNAKMT2ACYP3A4MAPT
SCHEMBL9519807	0.85	TLR4 (0.40)	TLR4LMNAKMT2A

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
EP-0330715-B1	DISACCHARIDE DERIVATIVES	DAIICHI PHARMACEUTICAL CO., LTD. (JP)	1993-06-16	—	—	EP	disclosed
US-5134230-A	Disaccharide Antitumor Agent Intermediates	DAIICHI PHARMACEUTICAL CO., LTD. (JP)	1992-07-28	—	—	US	disclosed