SCHEMBL13833496

Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CCCCCNC(=O)c3ccc(C4=C5CCC(=O)C=C5Oc5cc(O)ccc54)c(C(=O)O)c3)ccc12

nearest known ligand 0.37

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	HTRA2	O43464	8/20	0.37

▸	HTRA1	Q92743	8/20	0.37

▸	FOLH1	Q04609	1/20	0.34

▸	ALB	P02768	2/20	0.34

▸	WDR5	P61964	1/20	0.33

▸	NPY4R	P50391	1/20	0.32

▸	NPBWR1	P48145	1/20	0.32

▸	KDM4E	B2RXH2	1/20	0.31

▸	MEN1	O00255	1/20	0.31

▸	ALDH1A1	P00352	1/20	0.31

▸	HPGD	P15428	1/20	0.31

▸	KMT2A	Q03164	1/20	0.31

▸	HSD17B10	Q99714	1/20	0.31

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
SCHEMBL13833492	0.94	HTRA2 (0.38)	HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL14932614	0.84	HTRA2 (0.52)	HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL14932607	0.78	HTRA2 (0.54)	HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL19967086	0.77	FOLH1 (0.50)	HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL6877904	0.75	CA9 (0.46)	KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL11906012	0.75	CA9 (0.46)	KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL18220761	0.72	HTRA2 (0.35)	HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL20235710	0.72	HTRA2 (0.49)	HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL20047392	0.71	FOLH1 (0.51)	HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL18220762	0.71	CA12 (0.44)	NPY4RKDM4EMEN1ALDH1A1HPGD

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-2012149540-A1	INHIBITORS OF HISTONE DEACETYLASE	THE BROAD INSTITUTE INC (US)	2012-11-01	—	—	WO	disclosed