SCHEMBL31247683

CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CAPN1	P07384	2/20	0.56

▸	CTSB	P07858	2/20	0.56

▸	CXCL8	P10145	10/20	0.56

▸	CTSL	P07711	3/20	0.55

▸	CTSS	P25774	3/20	0.55

▸	CTSK	P43235	3/20	0.55

▸	CTSH	P09668	1/20	0.55

▸	CALCRL	Q16602	1/20	0.50

▸	CXCR4	P61073	2/20	0.49

▸	DPP3	Q9NY33	1/20	0.48

▸	CCKBR	P32239	1/20	0.47

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
SCHEMBL31247348	0.97	CAPN1 (0.57)	CAPN1CTSBCXCL8CTSLCTSS
SCHEMBL31247304	0.97	CAPN1 (0.60)	CAPN1CTSBCXCL8CTSLCTSS
SCHEMBL31247325	0.96	CXCL8 (0.56)	CAPN1CTSBCXCL8CTSLCTSS
SCHEMBL31247492	0.95	CAPN1 (0.63)	CAPN1CTSBCXCL8CTSLCTSS
SCHEMBL31247447	0.95	CAPN1 (0.63)	CAPN1CTSBCXCL8CTSLCTSS
SCHEMBL31247476	0.94	CAPN1 (0.54)	CAPN1CTSBCXCL8CTSLCTSS
SCHEMBL31247508	0.93	CXCL8 (0.55)	CAPN1CTSBCXCL8CTSLCTSS
SCHEMBL31247542	0.93	CAPN1 (0.60)	CAPN1CTSBCXCL8CTSLCTSS
SCHEMBL30690109	0.93	CXCL8 (0.58)	CAPN1CTSBCXCL8CTSLCTSS
SCHEMBL31247360	0.92	CTSL (0.56)	CAPN1CTSBCXCL8CTSLCTSS

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-2024235070-A1	PEPTIDE COMPOUND, COMPOSITION AND USE THEREOF	杭州禾泰健宇生物科技有限公司	2024-11-21	—	—	WO	disclosed