SCHEMBL30435345

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

nearest known ligand 0.71

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.71

▸	VIPR1	P32241	3/20	0.61

▸	NR3C1	P04150	2/20	0.60

▸	VIPR2	P41587	4/20	0.59

▸	GLP1R	P43220	2/20	0.58

▸	GCGR	P47871	1/20	0.58

▸	GIPR	P48546	1/20	0.58

▸	ECE1	P42892	1/20	0.58

▸	MUS81	Q96NY9	1/20	0.58

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
SCHEMBL30495813	0.95	TFPI (0.67)	TFPIVIPR1NR3C1VIPR2GLP1R
SCHEMBL30601869	0.93	TFPI (0.79)	TFPIVIPR1NR3C1VIPR2GLP1R
SCHEMBL30436216	0.91	TFPI (0.79)	TFPIVIPR1NR3C1VIPR2GLP1R
SCHEMBL31688341	0.91	TFPI (0.64)	TFPIVIPR1NR3C1VIPR2GLP1R
SCHEMBL29551264	0.91	TFPI (0.71)	TFPIVIPR1NR3C1VIPR2GLP1R
SCHEMBL29851163	0.91	TFPI (0.71)	TFPIVIPR1NR3C1VIPR2GLP1R
SCHEMBL30496422	0.91	TFPI (0.71)	TFPIVIPR1NR3C1VIPR2
SCHEMBL31000924	0.90	TFPI (0.64)	TFPIVIPR1GLP1R
SCHEMBL30576938	0.90	TFPI (0.68)	TFPIVIPR1NR3C1VIPR2GLP1R
SCHEMBL29376362	0.90	TFPI (0.66)	TFPIVIPR1NR3C1GLP1RGCGR

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