SCHEMBL30512640

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	16/20	0.69

▸	CTSL	P07711	3/20	0.59

▸	CTSS	P25774	3/20	0.59

▸	CTSK	P43235	3/20	0.59

▸	CTSH	P09668	1/20	0.59

▸	C5AR1	P21730	1/20	0.57

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
SCHEMBL31011012	0.90	CXCR4 (0.68)	CXCR4C5AR1
SCHEMBL29700788	0.89	CXCR4 (0.67)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30198798	0.88	CXCR4 (0.61)	CXCR4C5AR1
SCHEMBL30883231	0.88	CXCR4 (0.68)	CXCR4C5AR1
SCHEMBL29499679	0.88	CXCR4 (0.66)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL3544836	0.88	CXCR4 (0.66)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30695167	0.88	CXCR4 (0.62)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30566367	0.87	CXCR4 (0.59)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29380582	0.87	CXCR4 (0.64)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL6041189	0.87	CXCR4 (0.61)	CXCR4CTSLCTSSCTSKCTSH

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
CN-116490215-A	Targeted mediated endocytic drug delivery	CRM医疗有限公司	2023-07-25	—	—	CN	disclosed