SCHEMBL31218906

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

nearest known ligand 0.51

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	GRB2	P62993	1/20	0.51

▸	CAPN1	P07384	6/20	0.48

▸	RAMP3	O60896	6/20	0.43

▸	CALCR	P30988	6/20	0.43

▸	CTSB	P07858	1/20	0.42

▸	CMA1	P23946	1/20	0.41

▸	XIAP	P98170	1/20	0.41

▸	ACE	P12821	2/20	0.41

▸	REN	P00797	1/20	0.41

▸	OPRM1	P35372	2/20	0.40

▸	OPRD1	P41143	1/20	0.40

▸	BDKRB2	P30411	1/20	0.39

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
SCHEMBL29547288	0.91	GRB2 (0.48)	GRB2CAPN1RAMP3CALCRCMA1
SCHEMBL29546551	0.91	GRB2 (0.48)	GRB2CAPN1RAMP3CALCRCMA1
SCHEMBL29471808	0.90	GRB2 (0.48)	GRB2CAPN1RAMP3CALCRCTSB
SCHEMBL29641846	0.85	GRB2 (0.51)	GRB2CAPN1CTSBCMA1XIAP
SCHEMBL31307226	0.84	RAMP3 (0.47)	RAMP3CALCR
SCHEMBL29776901	0.84	GRB2 (0.53)	GRB2CAPN1CTSBXIAPOPRM1
SCHEMBL29511963	0.84	ACE (0.46)	GRB2CAPN1CMA1XIAPACE
SCHEMBL31410827	0.83	RAMP3 (0.48)	RAMP3CALCROPRM1OPRD1
SCHEMBL31696320	0.83	CTSD (0.45)	GRB2CAPN1CMA1XIAPACE
SCHEMBL27913508	0.82	CAPN1 (0.46)	GRB2CAPN1CTSBACEREN

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-111603567-B	CD44 targeted multi-arm conjugates	赣江新区博瑞创新医药有限公司	2024-12-27	—	—	CN	disclosed