SCHEMBL31442185

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)NCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	GHSR	Q92847	7/20	0.54

▸	CALCRL	Q16602	1/20	0.47

▸	ITGB2	P05107	1/20	0.46

▸	ICAM1	P05362	1/20	0.46

▸	ITGAL	P20701	1/20	0.46

▸	ACE	P12821	1/20	0.44

▸	CASP1	P29466	1/20	0.44

▸	CASP3	P42574	1/20	0.44

▸	CASP7	P55210	1/20	0.44

▸	ECE1	P42892	3/20	0.44

▸	MAGI3	Q5TCQ9	1/20	0.43

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
SCHEMBL31442166	0.96	GHSR (0.51)	GHSRECE1
SCHEMBL31018989	0.95	GHSR (0.58)	GHSRCALCRLITGB2ICAM1ITGAL
SCHEMBL31442238	0.93	GHSR (0.55)	GHSRCALCRL
SCHEMBL31442154	0.91	GHSR (0.56)	GHSRCALCRL
SCHEMBL31442235	0.89	GHSR (0.57)	GHSRCALCRLECE1
SCHEMBL30051691	0.87	GHSR (0.61)	GHSRITGB2ICAM1ITGAL
SCHEMBL31442242	0.87	GHSR (0.53)	GHSR
SCHEMBL30051294	0.86	GHSR (0.65)	GHSRITGB2ICAM1ITGALACE
SCHEMBL29426615	0.86	GHSR (0.65)	GHSRITGB2ICAM1ITGALACE
SCHEMBL31442128	0.86	GHSR (0.54)	GHSRCALCRLECE1

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-12234299-B2	Peptides for inducing bacteriocin synthesis and methods to identify and/or select and/or optimize the same	SYNGULON S.A. (BE)	2025-02-25	—	—	US	disclosed