SCHEMBL30544342

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(C)C)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	ERAP2	Q6P179	7/20	0.61

▸	OPRM1	P35372	2/20	0.59

▸	OPRD1	P41143	2/20	0.59

▸	ECE1	P42892	5/20	0.59

▸	IL1RN	P18510	6/20	0.57

▸	ERAP1	Q9NZ08	4/20	0.57

▸	KISS1R	Q969F8	2/20	0.56

▸	ACE	P12821	1/20	0.56

▸	MMP2	P08253	1/20	0.56

▸	MMP9	P14780	1/20	0.56

▸	MMP8	P22894	1/20	0.56

▸	MMP1	P03956	1/20	0.54

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
SCHEMBL31564765	0.92	ECE1 (0.69)	ERAP2ECE1IL1RNERAP1ACE
SCHEMBL30052122	0.92	ECE1 (0.69)	ERAP2ECE1IL1RNERAP1ACE
SCHEMBL30051470	0.91	ECE1 (0.66)	ERAP2OPRM1OPRD1ECE1ERAP1
SCHEMBL30502993	0.90	CCKBR (0.58)	ERAP2OPRM1OPRD1IL1RNERAP1
SCHEMBL29474441	0.90	ERAP2 (0.62)	ERAP2OPRD1ECE1IL1RNERAP1
SCHEMBL30051690	0.90	ERAP2 (0.73)	ERAP2ECE1IL1RNERAP1ACE
SCHEMBL30544283	0.90	ECE1 (0.58)	ERAP2OPRM1OPRD1ECE1ACE
SCHEMBL30051500	0.89	OPRM1 (0.61)	ERAP2OPRM1OPRD1ECE1IL1RN
SCHEMBL30051190	0.89	ECE1 (0.74)	ERAP2ECE1IL1RNERAP1ACE
SCHEMBL30950657	0.89	OPRM1 (0.58)	ERAP2OPRM1OPRD1ECE1IL1RN

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-116716324-A	Alkane degradation gene, protein and application thereof	山东省科学院生态研究所(山东省科学院中日友好生物技术研究中心)	2023-09-08	—	—	CN	disclosed