SCHEMBL17860784

CCCCOC(=O)C(C)(C)CC(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(=O)N[C@H]1CCNC(=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)NC(=O)[C@H](CCC)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCNC(=O)OC(C)(C)C)NC1=O)C(C)O

nearest known ligand 0.57

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.57

▸	RCOR1	Q9UKL0	2/20	0.57

▸	SSTR2	P30874	6/20	0.42

▸	HLA-DRB1	P01911	1/20	0.34

▸	TERF2IP	Q9NYB0	5/20	0.34

▸	SSTR5	P35346	3/20	0.34

▸	SSTR1	P30872	2/20	0.34

▸	SSTR4	P31391	2/20	0.34

▸	SSTR3	P32745	2/20	0.34

▸	PSMB5	P28074	2/20	0.34

▸	BACE1	P56817	1/20	0.34

▸	BCHE	P06276	1/20	0.34

▸	ACHE	P22303	1/20	0.34

▸	DRD2	P14416	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
SCHEMBL19386917	0.96	KDM1A (0.63)	KDM1ARCOR1SSTR2HLA-DRB1TERF2IP
SCHEMBL17882072	0.96	KDM1A (0.63)	KDM1ARCOR1SSTR2HLA-DRB1TERF2IP
SCHEMBL17860817	0.92	KDM1A (0.57)	KDM1ARCOR1SSTR2HLA-DRB1TERF2IP
SCHEMBL17882117	0.90	KDM1A (0.65)	KDM1ARCOR1SSTR2HLA-DRB1TERF2IP
SCHEMBL19386819	0.90	KDM1A (0.65)	KDM1ARCOR1SSTR2HLA-DRB1TERF2IP
SCHEMBL17860822	0.90	KDM1A (0.58)	KDM1ARCOR1SSTR2HLA-DRB1TERF2IP
SCHEMBL17882110	0.89	KDM1A (0.67)	KDM1ARCOR1SSTR2TERF2IPPSMB5
SCHEMBL19386841	0.89	KDM1A (0.67)	KDM1ARCOR1SSTR2TERF2IPPSMB5
SCHEMBL17882121	0.88	KDM1A (0.63)	KDM1ARCOR1SSTR2TERF2IPBACE1
SCHEMBL17882164	0.88	KDM1A (0.66)	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