SCHEMBL22247313

CC(=O)N[C@H]1CCC[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(=O)N3CCC3)[C@H]2NC(=O)COCCOCC(=O)N[C@@H]2[C@@H](O[C@@H](CC3CCCCC3)C(=O)N3CCC3)[C@@H](O)[C@@H](CO)O[C@H]2C2CCC[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	SELE	P16581	18/20	0.51

▸	SELL	P14151	1/20	0.31

▸	SELP	P16109	1/20	0.31

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
SCHEMBL22247095	0.92	SELE (0.49)	SELE
SCHEMBL22247354	0.81	SELE (0.64)	SELE
SCHEMBL22247099	0.81	SELE (0.53)	SELE
SCHEMBL22247370	0.80	SELE (0.54)	SELE
SCHEMBL22247098	0.80	SELE (0.49)	SELESELP
SCHEMBL22247363	0.80	SELE (0.54)	SELE
SCHEMBL22247334	0.79	SELE (0.65)	SELE
SCHEMBL26407465	0.77	SELE (0.70)	SELESELL
SCHEMBL26408536	0.77	SELE (0.70)	SELESELL
SCHEMBL22247089	0.77	SELE (0.59)	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