SCHEMBL7141779

C=CCO[C@H]1O[C@H](COC(=O)OCc2ccccc2)[C@@H](OP(=O)(Oc2ccccc2)Oc2ccccc2)[C@H](OCC[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@H]1NC(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	13/20	0.36

▸	LMNA	P02545	1/20	0.31

▸	KMT2A	Q03164	1/20	0.31

▸	TNF	P01375	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
SCHEMBL7141782	1.00	TLR4 (0.36)	TLR4LMNAKMT2ATNF
SCHEMBL7136807	0.93	TLR4 (0.34)	TLR4LMNAKMT2A
SCHEMBL7136812	0.93	TLR4 (0.34)	TLR4LMNAKMT2A
SCHEMBL7138752	0.92	TLR4 (0.38)	TLR4
SCHEMBL7142546	0.92	TLR4 (0.41)	TLR4TNF
SCHEMBL7142547	0.92	TLR4 (0.41)	TLR4TNF
SCHEMBL7141598	0.91	LMNA (0.31)	TLR4LMNAKMT2A
SCHEMBL7141594	0.91	LMNA (0.31)	TLR4LMNAKMT2A
SCHEMBL7138751	0.91	TLR4 (0.43)	TLR4
SCHEMBL7141608	0.91	TLR4 (0.36)	TLR4LMNAKMT2ATNF

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 4 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-6511965-B2	For therapy and prophylaxis of inflammatory disorders, autoimmune diseases or septicemia	SANKYO COMPANY, LIMITED (JP)	2003-01-28	—	—	US	disclosed
EP-1181368-A1	MUTEINS OF BILIN-BINDING PROTEIN	Pieris Proteolab AG (DE)	2002-02-27	—	—	EP	disclosed
EP-1152007-A1	ETHER TYPE LIPID A1-CARBOXYLIC ACID ANALOGUES	Sankyo Company, Limited (JP)	2001-11-07	—	—	EP	disclosed
WO-2000075308-A1	MUTEINS OF BILIN-BINDING PROTEIN	PIERIS PROTEOLAB AG (DE)	2000-12-14	—	—	WO	disclosed