SCHEMBL19386920

CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCNC(=O)OC(C)(C)C)OC(=O)c2ccc(-c3ccccc3)cc2)C(C)O)CCNC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCNC(=O)OC(C)(C)C)NC1=O

nearest known ligand 0.60

Predicted protein targets (top 19)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.60

▸	RCOR1	Q9UKL0	2/20	0.60

▸	SSTR2	P30874	3/20	0.42

▸	LIPC	P11150	1/20	0.35

▸	LIPG	Q9Y5X9	1/20	0.35

▸	F11	P03951	1/20	0.35

▸	TERF2IP	Q9NYB0	2/20	0.34

▸	BACE1	P56817	2/20	0.34

▸	FCGRT	P55899	1/20	0.34

▸	SSTR5	P35346	3/20	0.33

▸	KEAP1	Q14145	1/20	0.33

▸	SSTR4	P31391	1/20	0.33

▸	KRAS	P01116	1/20	0.33

▸	TEAD4	Q15561	1/20	0.33

▸	TEAD3	Q99594	1/20	0.33

▸	NPY1R	P25929	1/20	0.33

▸	NPY2R	P49146	1/20	0.33

▸	NPY4R	P50391	1/20	0.33

▸	NPY5R	Q15761	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
SCHEMBL17882201	1.00	KDM1A (0.60)	KDM1ARCOR1SSTR2LIPCLIPG
SCHEMBL19386852	0.93	KDM1A (0.63)	KDM1ARCOR1SSTR2F11TERF2IP
SCHEMBL17882220	0.93	KDM1A (0.63)	KDM1ARCOR1SSTR2F11TERF2IP
SCHEMBL17882034	0.92	KDM1A (0.58)	KDM1ARCOR1SSTR2F11TERF2IP
SCHEMBL19386953	0.90	KDM1A (0.63)	KDM1ARCOR1SSTR2F11TERF2IP
SCHEMBL17882116	0.90	KDM1A (0.63)	KDM1ARCOR1SSTR2F11TERF2IP
SCHEMBL19386839	0.90	KDM1A (0.55)	KDM1ARCOR1SSTR2F11TERF2IP
SCHEMBL17882070	0.90	KDM1A (0.55)	KDM1ARCOR1SSTR2F11TERF2IP
SCHEMBL19386933	0.89	KDM1A (0.65)	KDM1ARCOR1SSTR2F11TERF2IP
SCHEMBL17882047	0.89	KDM1A (0.65)	KDM1ARCOR1SSTR2F11TERF2IP

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-9771394-B2	Antimicrobial polymyxins for treatment of bacterial infections	MICURX PHARMACEUTICALS, INC. (KY)	2017-09-26	—	—	US	disclosed