SCHEMBL9519807

CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@@H](OCCOP(c2ccccc2)c2ccccc2)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)C[C@@H](CCCCCCCCCCC)OC(=O)OCC(Cl)(Cl)Cl)[C@@H]2NC(=O)OCC(Cl)(Cl)Cl)[C@@H](OCCOP(c2ccccc2)c2ccccc2)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	15/20	0.40

▸	LMNA	P02545	2/20	0.31

▸	KMT2A	Q03164	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
SCHEMBL9625168	0.87	TLR4 (0.46)	TLR4
SCHEMBL9518924	0.85	TLR4 (0.39)	TLR4LMNAKMT2A
SCHEMBL9518931	0.85	TLR4 (0.39)	TLR4LMNAKMT2A
SCHEMBL9625166	0.85	TLR4 (0.48)	TLR4
SCHEMBL9520510	0.84	TLR4 (0.52)	TLR4
SCHEMBL9520386	0.82	TLR4 (0.36)	TLR4
SCHEMBL9637604	0.81	TLR4 (0.32)	TLR4
SCHEMBL9636056	0.79	TLR4 (0.35)	TLR4
SCHEMBL9786324	0.79	TLR4 (0.44)	TLR4
SCHEMBL9786319	0.79	TLR4 (0.44)	TLR4

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