SCHEMBL31257014

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.54

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	XIAP	P98170	1/20	0.54

▸	CALCRL	Q16602	2/20	0.48

▸	NTSR2	O95665	12/20	0.46

▸	NTSR1	P30989	12/20	0.46

▸	MAPK8	P45983	1/20	0.45

▸	MAPK9	P45984	1/20	0.45

▸	MAPK10	P53779	1/20	0.45

▸	SORT1	Q99523	10/20	0.44

▸	SLC6A2	P23975	1/20	0.44

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
SCHEMBL29611519	0.85	NTSR1 (0.51)	XIAPNTSR2NTSR1SORT1
SCHEMBL31257024	0.83	GRB2 (0.49)	XIAPCALCRLSLC6A2
SCHEMBL29611735	0.83	MAPK8 (0.53)	XIAPNTSR2NTSR1MAPK8MAPK9
SCHEMBL30571123	0.82	CALCRL (0.61)	CALCRLMAPK8MAPK9MAPK10SLC6A2
SCHEMBL29611631	0.82	NTSR1 (0.50)	NTSR2NTSR1SORT1
SCHEMBL29678075	0.81	MAPK8 (0.47)	XIAPCALCRLNTSR2NTSR1MAPK8
SCHEMBL31256997	0.81	SLC6A2 (0.60)	NTSR2NTSR1SORT1SLC6A2
SCHEMBL30240000	0.81	XIAP (0.61)	XIAPNTSR2NTSR1SORT1SLC6A2
SCHEMBL31026618	0.81	NTSR1 (0.49)	CALCRLNTSR2NTSR1MAPK8MAPK9
SCHEMBL31256939	0.80	XIAP (0.62)	XIAPNTSR2NTSR1SORT1SLC6A2

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-20240352445-A1	HUMANIZATION, AFFINITY MATURATION, AND OPTIMIZATION METHODS FOR PROTEINS AND ANTIBODIES	ABWIZ BIO, INC.	2024-10-24	—	—	US	disclosed