SCHEMBL14185326

COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CCCNC(=O)CNC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	KLK7	P49862	2/20	0.47

▸	KLK5	Q9Y337	2/20	0.47

▸	PTPN1	P18031	5/20	0.46

▸	SIRT2	Q8IXJ6	2/20	0.44

▸	SIRT1	Q96EB6	2/20	0.44

▸	MAPT	P10636	1/20	0.44

▸	SIRT3	Q9NTG7	1/20	0.44

▸	KMT2A	Q03164	1/20	0.44

▸	TLR2	O60603	1/20	0.44

▸	TLR1	Q15399	1/20	0.44

▸	ITGB3	P05106	1/20	0.43

▸	ITGA2B	P08514	1/20	0.43

▸	HDAC1	Q13547	1/20	0.43

▸	HDAC2	Q92769	1/20	0.43

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
SCHEMBL14185324	0.93	PTPN1 (0.49)	KLK7KLK5PTPN1SIRT2SIRT1
SCHEMBL17444823	0.91	KLK7 (0.53)	KLK7KLK5SIRT2SIRT1MAPT
SCHEMBL30649009	0.90	KMT2A (0.49)	PTPN1KMT2ATLR2TLR1
SCHEMBL26641096	0.90	KMT2A (0.49)	PTPN1KMT2ATLR2TLR1
SCHEMBL24235733	0.89	PTPN1 (0.51)	KLK7KLK5PTPN1MAPTKMT2A
SCHEMBL24235739	0.88	PTPN1 (0.51)	KLK7KLK5PTPN1MAPTKMT2A
SCHEMBL28339679	0.88	KLK7 (0.50)	KLK7KLK5MAPTKMT2ATLR2
SCHEMBL20529969	0.88	KLK7 (0.50)	KLK7KLK5MAPTKMT2ATLR2
SCHEMBL29521232	0.87	KLK7 (0.54)	KLK7KLK5MAPTKMT2ATLR2
SCHEMBL14214786	0.87	FOLH1 (0.49)	PTPN1SIRT2SIRT1KMT2ATLR2

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-7371724-B2	KAPREKY peptidomimetics and analogues thereof	NOVARTIS AG (CH)	2008-05-13	—	—	US	disclosed