SCHEMBL14446707

CC1NC(=O)C(CC(=O)O)NC(=O)C(CCCN)NC(=O)CNC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC=O)C(C)OC(=O)C(CC(=O)c2ccccc2N)NC(=O)C(C(C)CC(=O)O)NC(=O)C(CO)NC(=O)CNC(=O)CC(C(=O)O)NC1=O

nearest known ligand 0.79

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	1/20	0.79

▸	DRD1	P21728	1/20	0.79

▸	PTGS1	P23219	1/20	0.79

▸	PDE4A	P27815	1/20	0.79

▸	EPHA2	P29317	3/20	0.40

▸	KEAP1	Q14145	2/20	0.38

▸	NECTIN4	Q96NY8	7/20	0.37

▸	SSTR1	P30872	2/20	0.37

▸	SSTR2	P30874	2/20	0.37

▸	SSTR4	P31391	2/20	0.37

▸	SSTR3	P32745	2/20	0.37

▸	SSTR5	P35346	2/20	0.37

▸	F11	P03951	1/20	0.37

▸	SHH	Q15465	1/20	0.37

▸	KRAS	P01116	1/20	0.36

▸	IL23R	Q5VWK5	2/20	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
SCHEMBL14446360	0.96	CTSL (0.86)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL14446808	0.96	CTSL (0.86)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL14446065	0.96	CTSL (0.86)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL24625904	0.93	CTSL (0.92)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8415773	0.91	CTSL (0.88)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL21250583	0.91	CTSL (0.88)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8420524	0.91	CTSL (0.88)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL10157516	0.91	CTSL (0.88)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8227154	0.91	CTSL (0.88)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8422213	0.91	CTSL (0.88)	CTSLDRD1PTGS1PDE4AEPHA2

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-20070191280-A1	High Purity Lipopeptides	CUBIST PHARMACEUTICALS LLC (CH)	2007-08-16	—	—	US	disclosed