SCHEMBL14446427

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(N)=S)[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 16)

	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	2/20	0.38

▸	KDM4A	O75164	1/20	0.37

▸	F11	P03951	1/20	0.36

▸	PRLHR	P49683	2/20	0.36

▸	KRAS	P01116	1/20	0.36

▸	TSLP	Q969D9	5/20	0.36

▸	IL23R	Q5VWK5	2/20	0.36

▸	KCNMA1	Q12791	1/20	0.35

▸	KCNMB4	Q86W47	1/20	0.35

▸	KEAP1	Q14145	1/20	0.35

▸	SHH	Q15465	1/20	0.35

▸	KLKB1	P03952	1/20	0.35

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
SCHEMBL14446086	0.97	CTSL (0.76)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL14446449	0.96	CTSL (0.74)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8227168	0.96	CTSL (0.74)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8227349	0.96	CTSL (0.78)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8221933	0.95	CTSL (0.86)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL24478636	0.93	CTSL (0.79)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL24635188	0.92	CTSL (0.78)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL14446450	0.92	CTSL (0.69)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8236195	0.91	CTSL (0.79)	CTSLDRD1PTGS1PDE4AEPHA2
SCHEMBL8236190	0.90	CTSL (0.66)	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