SCHEMBL30544315

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	4/20	0.60

▸	ERAP2	Q6P179	6/20	0.60

▸	IL1RN	P18510	5/20	0.59

▸	ECE1	P42892	5/20	0.58

▸	ERAP1	Q9NZ08	4/20	0.57

▸	TP53	P04637	1/20	0.56

▸	MDM2	Q00987	1/20	0.56

▸	EDNRA	P25101	1/20	0.55

▸	ACE	P12821	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
SCHEMBL30786597	0.93	ECE1 (0.59)	KISS1RERAP2IL1RNECE1ERAP1
SCHEMBL30051680	0.93	ECE1 (0.66)	ERAP2IL1RNECE1ERAP1TP53
SCHEMBL30051672	0.91	ECE1 (0.63)	ERAP2IL1RNECE1ERAP1TP53
SCHEMBL30786598	0.91	KISS1R (0.57)	KISS1RERAP2IL1RNECE1ERAP1
SCHEMBL30786592	0.91	MAGI3 (0.62)	KISS1RERAP2ECE1ACE
SCHEMBL30286253	0.90	ERAP2 (0.62)	KISS1RERAP2IL1RNERAP1
SCHEMBL30102898	0.90	ERAP2 (0.61)	KISS1RERAP2IL1RNECE1ERAP1
SCHEMBL30051575	0.89	ERAP2 (0.70)	ERAP2IL1RNECE1ERAP1ACE
SCHEMBL29532162	0.89	ERAP2 (0.70)	ERAP2IL1RNECE1ERAP1ACE
SCHEMBL29531288	0.89	ERAP2 (0.70)	ERAP2IL1RNECE1ERAP1ACE

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