SCHEMBL17860822

CCC[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)CC(C)(C)OC(=O)C(C)CC)C(C)O)CCNC(=O)[C@H](C(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 0.58

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.58

▸	RCOR1	Q9UKL0	2/20	0.58

▸	SSTR2	P30874	5/20	0.42

▸	HLA-DRB1	P01911	1/20	0.35

▸	TERF2IP	Q9NYB0	6/20	0.35

▸	BACE1	P56817	2/20	0.35

▸	SSTR1	P30872	2/20	0.33

▸	SSTR4	P31391	2/20	0.33

▸	SSTR3	P32745	2/20	0.33

▸	SSTR5	P35346	2/20	0.33

▸	EGFR	P00533	1/20	0.33

▸	LCK	P06239	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
SCHEMBL17860815	0.91	KDM1A (0.58)	KDM1ARCOR1SSTR2HLA-DRB1TERF2IP
SCHEMBL17860817	0.90	KDM1A (0.57)	KDM1ARCOR1SSTR2HLA-DRB1TERF2IP
SCHEMBL17860784	0.90	KDM1A (0.57)	KDM1ARCOR1SSTR2HLA-DRB1TERF2IP
SCHEMBL17882199	0.89	KDM1A (0.55)	KDM1ARCOR1SSTR2TERF2IP
SCHEMBL17882120	0.89	KDM1A (0.64)	KDM1ARCOR1SSTR2HLA-DRB1TERF2IP
SCHEMBL17860783	0.89	KDM1A (0.59)	KDM1ARCOR1SSTR2HLA-DRB1BACE1
SCHEMBL19386931	0.88	KDM1A (0.55)	KDM1ARCOR1SSTR2TERF2IP
SCHEMBL17860785	0.88	KDM1A (0.58)	KDM1ARCOR1SSTR2HLA-DRB1TERF2IP
SCHEMBL19386922	0.87	KDM1A (0.64)	KDM1ARCOR1SSTR2TERF2IP
SCHEMBL17882118	0.87	KDM1A (0.64)	KDM1ARCOR1SSTR2HLA-DRB1TERF2IP

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-2016100578-A2	ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS	MICURX PHARMACEUTICALS, INC. (US)	2016-06-23	—	—	WO	disclosed