SCHEMBL14446086

C=CCOC(=O)NCCC[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)[C@@H](C)OC(=O)[C@H](CC(=O)c2ccccc2N)NC(=O)[C@H](C(C)CC(=O)O)NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)O)NC1=O

nearest known ligand 0.76

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	1/20	0.76

▸	DRD1	P21728	1/20	0.76

▸	PTGS1	P23219	1/20	0.76

▸	PDE4A	P27815	1/20	0.76

▸	EPHA2	P29317	1/20	0.38

▸	SHH	Q15465	1/20	0.37

▸	TSLP	Q969D9	10/20	0.37

▸	IL23R	Q5VWK5	1/20	0.37

▸	KDM4A	O75164	1/20	0.37

▸	BCL2A1	Q16548	1/20	0.36

▸	F11	P03951	1/20	0.36

▸	PRLHR	P49683	1/20	0.36

▸	RXFP4	Q8TDU9	1/20	0.36

▸	KRAS	P01116	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
SCHEMBL14446427	0.97	CTSL (0.76)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL14446449	0.96	CTSL (0.74)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8227168	0.96	CTSL (0.74)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL24478636	0.95	CTSL (0.79)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL24635188	0.95	CTSL (0.78)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8221933	0.94	CTSL (0.86)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL14446450	0.94	CTSL (0.69)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8227349	0.94	CTSL (0.78)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL21250583	0.92	CTSL (0.88)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8227154	0.92	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