SCHEMBL8260169

CCCCCCCC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(CC(=O)O)C(=O)NC1C(=O)NCC(=O)NC(CCCN)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)c2ccccc2N)C(=O)OC1C

nearest known ligand 0.86

Predicted protein targets (top 19)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	1/20	0.86

▸	DRD1	P21728	1/20	0.86

▸	PTGS1	P23219	1/20	0.86

▸	PDE4A	P27815	1/20	0.86

▸	KEAP1	Q14145	2/20	0.40

▸	F11	P03951	1/20	0.39

▸	SHH	Q15465	1/20	0.39

▸	TSLP	Q969D9	3/20	0.38

▸	KCNMA1	Q12791	1/20	0.38

▸	KCNMB4	Q86W47	1/20	0.38

▸	EPHA2	P29317	2/20	0.38

▸	F2	P00734	1/20	0.38

▸	IL23R	Q5VWK5	2/20	0.37

▸	NECTIN4	Q96NY8	2/20	0.37

▸	MDM4	O15151	1/20	0.37

▸	MDM2	Q00987	1/20	0.37

▸	KRAS	P01116	1/20	0.36

▸	SSTR2	P30874	1/20	0.36

▸	NPY2R	P49146	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
SCHEMBL14177511	1.00	CTSL (0.86)	CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8358323	0.97	CTSL (0.91)	CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8242360	0.95	CTSL (0.94)	CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14301051	0.94	CTSL (0.86)	CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274569	0.93	CTSL (0.88)	CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8252727	0.93	CTSL (0.76)	CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL8426488	0.93	CTSL (0.83)	CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274574	0.93	CTSL (0.87)	CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14274573	0.93	CTSL (0.87)	CTSLDRD1PTGS1PDE4AKEAP1
SCHEMBL14186831	0.93	CTSL (0.90)	CTSLDRD1PTGS1PDE4AKEAP1

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
WO-2006110185-A2	ANTIINFECTIVE LIPOPEPTIDES	CUBIST PHARMACEUTICALS, INC. (US)	2006-10-19	—	—	WO	disclosed