SCHEMBL9082723

CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(N)=O)C(C)O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	5/20	0.55

▸	KEAP1	Q14145	2/20	0.50

▸	PRMT5	O14744	1/20	0.45

▸	WDR77	Q9BQA1	1/20	0.45

▸	CASP3	P42574	2/20	0.45

▸	CASP2	P42575	2/20	0.45

▸	CAPN1	P07384	3/20	0.45

▸	SLC6A2	P23975	1/20	0.44

▸	NMUR2	Q9GZQ4	1/20	0.43

▸	CTSB	P07858	1/20	0.43

▸	KISS1R	Q969F8	2/20	0.42

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
SCHEMBL9068934	0.98	CALCRL (0.52)	CALCRLKEAP1PRMT5WDR77CAPN1
SCHEMBL7400113	0.93	CALCRL (0.51)	CALCRLKEAP1PRMT5WDR77CASP3
SCHEMBL7401470	0.91	CALCRL (0.48)	CALCRLKEAP1CASP3CASP2SLC6A2
SCHEMBL31497328	0.88	KEAP1 (0.52)	CALCRLKEAP1PRMT5WDR77CAPN1
SCHEMBL31497340	0.87	KEAP1 (0.54)	CALCRLKEAP1PRMT5WDR77CAPN1
SCHEMBL7396690	0.87	SLC6A2 (0.46)	CALCRLKEAP1CASP3CASP2CAPN1
SCHEMBL31497335	0.85	KEAP1 (0.55)	CALCRLKEAP1PRMT5WDR77CAPN1
SCHEMBL31497348	0.84	CALCRL (0.50)	CALCRLKEAP1PRMT5WDR77CAPN1
SCHEMBL31497333	0.84	CALCRL (0.52)	CALCRLKEAP1PRMT5WDR77CAPN1
SCHEMBL7402771	0.84	KISS1R (0.57)	CALCRLCAPN1CTSBKISS1R

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-5504070-A	ADMINISTERING OLIGOPEPTIDES, PHOSPHONATES AND MODIFIED AMINO ACIDS AS INHIBITORS	BERLEX LABORATORIES, INC. (US)	1996-04-02	—	—	US	disclosed