SCHEMBL30483435

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	1/20	0.57

▸	PTH1R	Q03431	6/20	0.54

▸	CALCR	P30988	3/20	0.54

▸	TFPI	P10646	1/20	0.52

▸	OPRM1	P35372	1/20	0.51

▸	OPRD1	P41143	1/20	0.51

▸	OPRK1	P41145	1/20	0.51

▸	F2	P00734	1/20	0.51

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
SCHEMBL30437371	0.91	CALCR (0.62)	BACE1CALCRTFPI
SCHEMBL30512733	0.89	BACE1 (0.63)	BACE1PTH1R
SCHEMBL31182852	0.89	TFPI (0.59)	PTH1RCALCRTFPI
SCHEMBL31688304	0.89	OPRM1 (0.55)	BACE1CALCROPRM1OPRD1OPRK1
SCHEMBL29714704	0.88	BACE1 (0.57)	BACE1PTH1RCALCR
SCHEMBL30658205	0.88	CALCR (0.62)	CALCRTFPI
SCHEMBL30883223	0.88	GLP1R (0.62)	BACE1CALCRTFPI
SCHEMBL30688341	0.88	GLP1R (0.58)	BACE1CALCRTFPIOPRM1OPRD1
SCHEMBL30512687	0.88	BACE1 (0.56)	BACE1PTH1RCALCRTFPI
SCHEMBL29728670	0.87	BACE1 (0.61)	BACE1PTH1RCALCRTFPI

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-116376925-A	Main effect gene for controlling cold tolerance of rice in seedling stage, encoding protein and application thereof	广西大学	2023-07-04	—	—	CN	disclosed