SCHEMBL30437506

N=C(N)NCCC[C@@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H]1CCCN1)C(=O)NCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.43

▸	KEAP1	Q14145	1/20	0.42

▸	MAOB	P27338	1/20	0.41

▸	KDM5A	P29375	1/20	0.41

▸	KDM1B	Q8NB78	1/20	0.41

▸	NMT1	P30419	4/20	0.39

▸	NMT2	O60551	3/20	0.39

▸	BECN1	Q14457	5/20	0.38

▸	GHSR	Q92847	1/20	0.38

▸	MDM4	O15151	1/20	0.37

▸	MDM2	Q00987	1/20	0.37

▸	IL23R	Q5VWK5	1/20	0.36

▸	MLLT3	P42568	1/20	0.36

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
SCHEMBL30938813	0.96	GHSR (0.40)	KDM1AKEAP1MAOBKDM5AKDM1B
SCHEMBL29517268	0.92	NMT1 (0.45)	KDM1AMAOBKDM5AKDM1BNMT1
SCHEMBL29679965	0.92	KDM1A (0.43)	KDM1AKEAP1MAOBKDM5AKDM1B
SCHEMBL29548137	0.89	PRCP (0.41)	KEAP1
SCHEMBL29924267	0.89	PRCP (0.41)	KEAP1
SCHEMBL29531601	0.88	KEAP1 (0.41)	KDM1AKEAP1MAOBKDM5AKDM1B
SCHEMBL30844347	0.88	KDM1A (0.43)	KDM1AKEAP1MAOBKDM5AKDM1B
SCHEMBL30974174	0.88	KDM1A (0.38)	KDM1AKEAP1MAOBKDM5AKDM1B
SCHEMBL9120793	0.88	GHSR (0.41)	KDM1ANMT1NMT2GHSR
SCHEMBL31385440	0.88	GHSR (0.41)	KDM1ANMT1NMT2GHSR

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-20230174662-A1	METHODS OF TREATING CASTRATE-RESISTANT PROSTATE CANCER	FONDAZIONE PER L'ISTITUTO ONCOLOGICO DI RICERCA (IOR) (CH)	2023-06-08	—	—	US	disclosed