SCHEMBL14434141

CCCCC1NC(=O)CNC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(Cc2c[nH]c3ccccc23)NC(C)=S)C(C)OC(=O)C(CC(=O)c2ccccc2N)CC(=O)C(C(C)CC(=O)O)NC(=O)C(CO)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)O)NC1=O

nearest known ligand 0.77

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	1/20	0.77

▸	DRD1	P21728	1/20	0.77

▸	PTGS1	P23219	1/20	0.77

▸	PDE4A	P27815	1/20	0.77

▸	EPHA2	P29317	3/20	0.38

▸	SHH	Q15465	1/20	0.37

▸	IL23R	Q5VWK5	2/20	0.35

▸	KEAP1	Q14145	2/20	0.35

▸	MC4R	P32245	4/20	0.34

▸	MC5R	P33032	4/20	0.34

▸	MC3R	P41968	4/20	0.34

▸	MC1R	Q01726	4/20	0.34

▸	MEN1	O00255	5/20	0.34

▸	KMT2A	Q03164	1/20	0.34

▸	NECTIN4	Q96NY8	1/20	0.34

▸	TSLP	Q969D9	1/20	0.34

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
SCHEMBL8227054	0.94	CTSL (0.85)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL14434157	0.89	CTSL (0.85)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8230275	0.89	CTSL (0.84)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8226898	0.89	CTSL (0.84)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8226972	0.89	CTSL (0.84)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8230288	0.89	CTSL (0.84)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8230311	0.89	CTSL (0.96)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8227065	0.88	CTSL (0.74)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8415773	0.88	CTSL (0.88)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL21250583	0.88	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-7262268-B2	Lipopeptide stereoisomers, methods for preparing same, and useful intermediates	CUBIST PHARMACEUTICALS, INC. (US)	2007-08-28	—	—	US	disclosed