SCHEMBL6983327

CC(C)C[C@@H](C(=O)NN)[C@H](C(=O)NOC1CCCCO1)C(/C=C/c1ccccc1)(CC(C)C)C(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	KLK7	P49862	2/20	0.36

▸	KLK5	Q9Y337	2/20	0.36

▸	CXCR3	P49682	1/20	0.35

▸	ITGB3	P05106	1/20	0.34

▸	ITGA2B	P08514	1/20	0.34

▸	REN	P00797	2/20	0.34

▸	ADAM17	P78536	1/20	0.33

▸	NPSR1	Q6W5P4	3/20	0.33

▸	POLB	P06746	2/20	0.33

▸	ATM	Q13315	1/20	0.33

▸	TDP1	Q9NUW8	1/20	0.33

▸	HDAC3	O15379	1/20	0.33

▸	HDAC4	P56524	1/20	0.33

▸	HDAC1	Q13547	1/20	0.33

▸	HDAC7	Q8WUI4	1/20	0.33

▸	HDAC2	Q92769	1/20	0.33

▸	HDAC10	Q969S8	1/20	0.33

▸	HDAC11	Q96DB2	1/20	0.33

▸	HDAC8	Q9BY41	1/20	0.33

▸	HDAC6	Q9UBN7	1/20	0.33

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
SCHEMBL6987512	1.00	KLK7 (0.36)	KLK7KLK5CXCR3ITGB3ITGA2B
SCHEMBL6989216	0.88	REN (0.32)	REN
SCHEMBL6946851	0.84	MMP2 (0.33)	—
SCHEMBL6988780	0.83	MMP2 (0.34)	—
SCHEMBL6986302	0.83	MMP2 (0.34)	—
SCHEMBL7805786	0.82	CPB2 (0.31)	—
SCHEMBL7815950	0.82	CPB2 (0.31)	—
SCHEMBL7815518	0.81	MMP2 (0.30)	—
SCHEMBL6982288	0.81	MMP2 (0.30)	—
SCHEMBL6980542	0.81	MMP2 (0.32)	—

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
EP-1089964-B1	HYDRAZINE DERIVATIVES	HOFFMANN LA ROCHE (CH)	2003-10-29	—	—	EP	disclosed