SCHEMBL8259896

CCC(C)C1NC(=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)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)C(C)OC1=O

nearest known ligand 0.77

Predicted protein targets (top 12)

	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

▸	OXTR	P30559	2/20	0.41

▸	NECTIN4	Q96NY8	11/20	0.41

▸	EPHA2	P29317	2/20	0.41

▸	FLT1	P17948	1/20	0.39

▸	ESR1	P03372	1/20	0.39

▸	ESR2	Q92731	1/20	0.39

▸	PRLHR	P49683	1/20	0.38

▸	KEAP1	Q14145	1/20	0.38

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
SCHEMBL8260309	0.97	CTSL (0.73)	CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14300849	0.93	CTSL (0.77)	CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274568	0.93	CTSL (0.82)	CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274565	0.92	CTSL (0.82)	CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274566	0.92	CTSL (0.82)	CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14177523	0.92	CTSL (0.72)	CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274744	0.91	CTSL (0.80)	CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14275195	0.91	CTSL (0.84)	CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274615	0.91	CTSL (0.80)	CTSLDRD1PTGS1PDE4AOXTR
SCHEMBL14274588	0.91	CTSL (0.79)	CTSLDRD1PTGS1PDE4AOXTR

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