SCHEMBL21781939

COC(C(C)C(=O)NC(Cc1ccccc1)C(=O)NCc1ccc(NC(=O)C(CCCNC(N)=O)NC(=O)CNC(O)CCC(=O)N2CCC(C(N)=O)CC2)cc1)C1CCCN1C=O

nearest known ligand 0.37

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	AKT1	P31749	3/20	0.37

▸	KMT2A	Q03164	3/20	0.37

▸	PSMB5	P28074	4/20	0.36

▸	PSMB8	P28062	2/20	0.36

▸	MEN1	O00255	1/20	0.35

▸	LCK	P06239	2/20	0.34

▸	ITGB1	P05556	2/20	0.34

▸	ITGA5	P08648	1/20	0.34

▸	CYP3A4	P08684	1/20	0.34

▸	KLKB1	P03952	1/20	0.34

▸	ITGA4	P13612	1/20	0.33

▸	STAT3	P40763	1/20	0.33

▸	YAP1	P46937	1/20	0.33

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
SCHEMBL21782113	0.87	AKT1 (0.41)	AKT1KMT2APSMB5PSMB8MEN1
SCHEMBL21782018	0.83	AKT1 (0.37)	AKT1KMT2AMEN1LCKITGB1
SCHEMBL21781940	0.82	AKT1 (0.36)	AKT1PSMB5PSMB8LCKITGB1
SCHEMBL22561364	0.81	KDM1A (0.39)	AKT1KMT2AMEN1LCKITGB1
SCHEMBL21782075	0.80	AKT1 (0.40)	AKT1KMT2APSMB8MEN1LCK
SCHEMBL21781883	0.80	AKT1 (0.40)	AKT1KMT2APSMB5PSMB8MEN1
SCHEMBL21781778	0.79	KLKB1 (0.40)	AKT1KMT2AMEN1LCKKLKB1
SCHEMBL21781948	0.79	AKT1 (0.41)	AKT1KMT2APSMB5PSMB8MEN1
SCHEMBL21781988	0.79	KDM1A (0.41)	AKT1KMT2AMEN1LCKKLKB1
SCHEMBL21781926	0.79	AKT1 (0.42)	AKT1PSMB5PSMB8LCKITGB1

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
EP-3617221-A1	CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR	Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN)	2020-03-04	—	—	EP	disclosed