SCHEMBL19386870

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)NC(=O)c2ccnc(OC(=O)c3cccc(Cl)c3)c2)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 0.56

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.56

▸	RCOR1	Q9UKL0	2/20	0.56

▸	SSTR2	P30874	3/20	0.40

▸	TERF2IP	Q9NYB0	10/20	0.34

▸	FCGRT	P55899	1/20	0.33

▸	F11	P03951	1/20	0.33

▸	DRD2	P14416	1/20	0.32

▸	SSTR5	P35346	1/20	0.32

▸	LDHB	P07195	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
SCHEMBL17882233	1.00	KDM1A (0.56)	KDM1ARCOR1SSTR2TERF2IPFCGRT
SCHEMBL17882234	0.91	KDM1A (0.68)	KDM1ARCOR1SSTR2TERF2IPF11
SCHEMBL19386872	0.91	KDM1A (0.68)	KDM1ARCOR1SSTR2TERF2IPF11
SCHEMBL17882070	0.89	KDM1A (0.55)	KDM1ARCOR1SSTR2TERF2IPFCGRT
SCHEMBL19386839	0.89	KDM1A (0.55)	KDM1ARCOR1SSTR2TERF2IPFCGRT
SCHEMBL25623669	0.83	KDM1A (0.66)	KDM1ARCOR1SSTR2TERF2IPFCGRT
SCHEMBL19386820	0.83	KDM1A (0.66)	KDM1ARCOR1SSTR2TERF2IPFCGRT
SCHEMBL17882079	0.83	KDM1A (0.66)	KDM1ARCOR1SSTR2TERF2IPFCGRT
SCHEMBL19386914	0.83	KDM1A (0.66)	KDM1ARCOR1SSTR2TERF2IPFCGRT
SCHEMBL26181682	0.83	KDM1A (0.72)	KDM1ARCOR1SSTR2TERF2IP

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