SCHEMBL15006480

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	1/20	0.44

▸	KMT2A	Q03164	1/20	0.44

▸	MMP1	P03956	1/20	0.43

▸	MMP3	P08254	1/20	0.43

▸	OPRM1	P35372	2/20	0.43

▸	OPRD1	P41143	2/20	0.43

▸	PSMB9	P28065	4/20	0.42

▸	NMUR2	Q9GZQ4	2/20	0.41

▸	NMUR1	Q9HB89	2/20	0.41

▸	NTSR1	P30989	1/20	0.41

▸	PTPN1	P18031	1/20	0.40

▸	FAP	Q12884	1/20	0.40

▸	ALDH1A1	P00352	1/20	0.40

▸	GAA	P10253	1/20	0.40

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
SCHEMBL29401177	0.90	CMA1 (0.43)	RENKMT2AMMP1MMP3PSMB9
SCHEMBL29456966	0.88	STAT3 (0.42)	RENKMT2APSMB9ALDH1A1GAA
SCHEMBL31113348	0.83	PSMB9 (0.46)	KMT2AOPRD1PSMB9FAP
SCHEMBL31297104	0.82	REN (0.46)	RENOPRM1OPRD1NTSR1FAP
SCHEMBL31297108	0.81	REN (0.46)	RENOPRM1OPRD1NTSR1FAP
SCHEMBL29749447	0.81	CTRB1 (0.48)	KMT2A
SCHEMBL30688537	0.81	CTRB1 (0.44)	KMT2AMMP1MMP3ALDH1A1GAA
SCHEMBL29706288	0.80	CTRB1 (0.55)	KMT2A
SCHEMBL29413336	0.80	CTRB1 (0.49)	KMT2AALDH1A1GAA
SCHEMBL30317756	0.80	CTRB1 (0.49)	KMT2AALDH1A1GAA

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-8461117-B2	Chemical linkers and cleavable substrates and conjugates thereof	MEDAREX, INC. (US)	2013-06-11	—	—	US	disclosed