SCHEMBL3901023

CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@](COC(=O)CCCCCCCCCCCCCCCCC)(O[C@H]2O[C@H](CO)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H]1OC(=O)CCCCCCCCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	TLR4	O00206	11/20	0.42

▸	LY96	Q9Y6Y9	6/20	0.41

▸	CYP2D6	P10635	1/20	0.35

▸	THRB	P10828	1/20	0.35

▸	HSD17B10	Q99714	1/20	0.35

▸	PRKCA	P17252	5/20	0.34

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
SCHEMBL10447319	0.96	TLR4 (0.44)	TLR4LY96PRKCA
SCHEMBL358376	0.96	TLR4 (0.44)	TLR4LY96PRKCA
SCHEMBL597451	0.92	TLR4 (0.42)	TLR4LY96PRKCA
SCHEMBL30277904	0.92	TLR4 (0.42)	TLR4LY96PRKCA
SCHEMBL21531505	0.92	TLR4 (0.42)	TLR4LY96PRKCA
SCHEMBL19138246	0.92	TLR4 (0.46)	TLR4LY96PRKCA
SCHEMBL30277900	0.92	TLR4 (0.42)	TLR4LY96PRKCA
SCHEMBL7192038	0.90	CYP2D6 (0.35)	TLR4LY96CYP2D6THRBHSD17B10
SCHEMBL29362128	0.90	TK2 (0.40)	TLR4LY96
SCHEMBL28381771	0.90	TK2 (0.40)	TLR4LY96

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1335957-B1	COSMETIC PENCIL	SCHWAN STABILO COSMETICS GMBH (DE)	2009-03-04	—	—	EP	disclosed
EP-1335957-A1	COSMETIC PENCIL	Schwan-STABILO Cosmetics GmbH & Co. (DE)	2003-08-20	—	—	EP	disclosed
WO-2002026903-A1	COSMETIC PENCIL	SCHWAN-STABILO COSMETICS GMBH & CO. KG (DE)	2002-04-04	—	—	WO	disclosed