SCHEMBL30434989

CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C

nearest known ligand 0.75

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.75

▸	CRHR1	P34998	1/20	0.67

▸	CRHR2	Q13324	1/20	0.67

▸	F2	P00734	4/20	0.59

▸	HCRTR1	O43613	1/20	0.59

▸	HCRTR2	O43614	1/20	0.59

▸	KEAP1	Q14145	1/20	0.58

▸	GLP1R	P43220	5/20	0.58

▸	GCGR	P47871	4/20	0.56

▸	GIPR	P48546	4/20	0.56

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
SCHEMBL31745605	0.91	CALCR (0.72)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL29767110	0.90	CALCR (0.82)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30932076	0.90	CALCR (0.82)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL29597451	0.89	CALCR (0.66)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL31222181	0.89	CALCR (0.64)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30432702	0.89	CALCR (0.67)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30884870	0.89	CALCR (0.75)	CALCRCRHR1CRHR2KEAP1GLP1R
SCHEMBL29649209	0.88	CALCR (0.67)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL31182830	0.88	CALCR (0.72)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30607467	0.88	CALCR (0.64)	CALCRCRHR1CRHR2F2HCRTR1

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
US-20230167470-A1	METHOD AND STRAINS FOR REDUCING BYPRODUCT SUCCINIC ACID IN FERMENTATION PROCESS OF L-MALIC ACID AND USE THEREOF	Nanjing Haohe Biotechnology Co., Ltd. (CN)	2023-06-01	—	—	US	disclosed