SCHEMBL22247268

CC1O[C@@H](OC2C(NC(=O)c3cc(=O)[nH]c(=O)[nH]3)CC(C(=O)NCCCCN)C[C@H]2O[C@@H]2OC(CO)(CO)CC(O[C@@H](CC3CCCCC3)C(=O)O)C2NC(=O)Cn2cc(COCCOCCOCCOCCOCc3cn(CC(=O)NC4C(O[C@@H](CC5CCCCC5)C(=O)O)[C@@H](O)C(CO)O[C@H]4O[C@@H]4CC(C(=O)NCCCCN)CC(NC(=O)c5cc(=O)[nH]c(=O)[nH]5)C4O[C@@H]4OC(C)[C@@H](O)C(O)C4O)nn3)nn2)C(O)C(O)[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	SELE	P16581	19/20	0.52

▸	LGALS3	P17931	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
SCHEMBL22247273	0.92	SELE (0.56)	SELELGALS3
SCHEMBL24621655	0.86	SELE (0.51)	SELELGALS3
SCHEMBL22247244	0.85	SELE (0.53)	SELELGALS3
SCHEMBL22247283	0.83	SELE (0.50)	SELE
SCHEMBL22247180	0.81	SELE (0.62)	SELE
SCHEMBL22247272	0.81	SELE (0.60)	SELELGALS3
SCHEMBL24621716	0.78	SELE (0.69)	SELE
SCHEMBL22247055	0.78	SELE (0.54)	SELE
SCHEMBL22247328	0.78	SELE (0.64)	SELELGALS3
SCHEMBL22247259	0.77	SELE (0.72)	SELE

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
WO-2020150263-A1	SELECTIN OR GALECTIN ANTAGONISTS FOR TREATING CYTOKINE RELEASE SYNDROME AND CRS-INDUCED NEUROTOXICITY	MAGNANI JOHN L (US)	2020-07-23	—	—	WO	disclosed