SCHEMBL9614758

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CAPN1	P07384	8/20	0.57

▸	CTSB	P07858	3/20	0.49

▸	ACE	P12821	2/20	0.43

▸	REN	P00797	1/20	0.43

▸	STAT3	P40763	1/20	0.43

▸	RAMP3	O60896	5/20	0.42

▸	CALCR	P30988	5/20	0.42

▸	GRB2	P62993	1/20	0.42

▸	NTSR2	O95665	1/20	0.41

▸	NTSR1	P30989	1/20	0.41

▸	CALCRL	Q16602	1/20	0.41

▸	SLC6A2	P23975	1/20	0.40

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
SCHEMBL9614754	1.00	CAPN1 (0.57)	CAPN1CTSBACERENSTAT3
SCHEMBL29576508	0.86	CAPN1 (0.47)	CAPN1CTSBACERENSTAT3
SCHEMBL30974008	0.84	ACE (0.54)	CAPN1ACERENCALCRLSLC6A2
SCHEMBL31026619	0.82	CAPN1 (0.52)	CAPN1CTSBSTAT3RAMP3CALCR
SCHEMBL29530605	0.82	XIAP (0.49)	CAPN1CTSBACERENGRB2
SCHEMBL31575687	0.82	NTSR1 (0.48)	RAMP3CALCRNTSR2NTSR1
SCHEMBL29379569	0.82	CAPN1 (0.62)	CAPN1CTSBRAMP3CALCR
SCHEMBL31183007	0.82	CAPN1 (0.51)	CAPN1CTSBSTAT3NTSR2NTSR1
SCHEMBL32689781	0.81	CAPN1 (0.57)	CAPN1CTSBACERENGRB2
SCHEMBL31410876	0.81	CALCRL (0.49)	CAPN1CTSBNTSR2NTSR1CALCRL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0487660-A1	TREATMENT OF THROMBOTIC EVENTS.	BIOPHARM LTD (GB)	1992-06-03	—	—	EP	disclosed
WO-1991015576-A1	TREATMENT OF THROMBOTIC EVENTS	BIOPHARM (UK) LIMITED (GB)	1991-10-17	—	—	WO	disclosed