SCHEMBL6754840

CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)C(c2ccccc2)N2C(=O)C(CC[C@@H]2O)NC1=O

nearest known ligand 0.70

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	KLK7	P49862	3/20	0.70

▸	PLG	P00747	1/20	0.61

▸	F11	P03951	1/20	0.61

▸	HTRA1	Q92743	8/20	0.57

▸	ELANE	P08246	5/20	0.57

▸	F2	P00734	1/20	0.51

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
SCHEMBL13823022	0.96	KLK7 (0.77)	KLK7PLGF11HTRA1ELANE
SCHEMBL13815042	0.94	KLK7 (0.72)	KLK7PLGF11HTRA1ELANE
SCHEMBL17066721	0.90	KLK7 (0.79)	KLK7PLGF11HTRA1ELANE
SCHEMBL13815041	0.90	KLK7 (0.79)	KLK7PLGF11HTRA1ELANE
SCHEMBL6754841	0.90	KLK7 (0.60)	KLK7PLGF11HTRA1ELANE
SCHEMBL6729492	0.85	KLK7 (0.95)	KLK7PLGF11HTRA1ELANE
Nostopeptin Bn920 SCHEMBL13518016	0.84	KLK7 (0.74)	KLK7PLGF11HTRA1ELANE
SCHEMBL6730028	0.83	PLG (0.73)	KLK7PLGF11HTRA1ELANE
SCHEMBL11961105	0.82	KLK7 (0.67)	KLK7PLGF11HTRA1ELANE
SCHEMBL15081576	0.82	KLK7 (1.00)	KLK7PLGF11ELANEF2

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-8178650-B2	Cyclic depsipeptides	NOVARTIS AG (CH)	2012-05-15	—	—	US	disclosed