SCHEMBL8627709

CCOC[C@H]1O[C@@H](S)[C@H](OCCCCC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@H](O)[C@H]1O

nearest known ligand 0.34

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	SELP	P16109	2/20	0.34

▸	TLR4	O00206	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
SCHEMBL8626568	0.93	SELP (0.32)	SELP
SCHEMBL8627705	0.73	MAPK1 (0.35)	SELP
SCHEMBL8626561	0.65	LGALS3 (0.32)	SELP
SCHEMBL8770316	0.64	ALDH1A1 (0.41)	—
SCHEMBL23009823	0.64	KMT2A (0.39)	—
SCHEMBL9724527	0.64	GBA1 (0.56)	—
SCHEMBL9350378	0.64	GBA1 (0.56)	—
SCHEMBL3958896	0.64	GBA1 (0.56)	—
SCHEMBL8626765	0.63	GJB2 (0.44)	—
SCHEMBL8770290	0.62	ALDH1A1 (0.38)	—

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-5747463-A	SELECTIN ANTAGONISTS; ANTIINFLAMMATORY AGENTS	BRISTOL-MYERS SQUIBB COMPANY (US)	1998-05-05	—	—	US	disclosed