SCHEMBL29652061

CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	SIGLEC7	Q9Y286	6/20	0.59

▸	MAG	P20916	7/20	0.52

▸	SELP	P16109	3/20	0.49

▸	SELL	P14151	2/20	0.49

▸	SELE	P16581	1/20	0.48

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
SCHEMBL1487635	1.00	SIGLEC7 (0.59)	SIGLEC7MAGSELPSELLSELE
SCHEMBL12313945	0.98	SIGLEC7 (0.62)	SIGLEC7MAGSELPSELLSELE
SCHEMBL30652770	0.96	SIGLEC7 (0.57)	SIGLEC7MAGSELPSELLSELE
SCHEMBL30651528	0.96	SIGLEC7 (0.57)	SIGLEC7MAGSELPSELLSELE
SCHEMBL30650129	0.96	SIGLEC7 (0.57)	SIGLEC7MAGSELPSELLSELE
SCHEMBL30650325	0.96	SIGLEC7 (0.57)	SIGLEC7MAGSELPSELLSELE
SCHEMBL30650935	0.96	SIGLEC7 (0.57)	SIGLEC7MAGSELPSELLSELE
SCHEMBL30655318	0.96	SIGLEC7 (0.57)	SIGLEC7MAGSELPSELLSELE
SCHEMBL30655289	0.96	SIGLEC7 (0.57)	SIGLEC7MAGSELPSELLSELE
SCHEMBL30653895	0.96	SIGLEC7 (0.57)	SIGLEC7MAGSELPSELLSELE

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-20220142948-A1	COMPOSITIONS AND METHODS FOR MODULATING METABOLIC REGULATORS OF T CELL PATHOGENICITY	MASSACHUSETTS INSTITUTE OF TECHNOLOGY	2022-05-12	—	—	US	disclosed