SCHEMBL20366314

C#CCOCCOCCOCCOCCNC(=O)CN(CC(=O)N[C@@H](CCC)C(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O)CC(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H](CC)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.63

Predicted protein targets (top 19)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.63

▸	RCOR1	Q9UKL0	2/20	0.63

▸	TERF2IP	Q9NYB0	4/20	0.40

▸	SSTR1	P30872	1/20	0.38

▸	SSTR2	P30874	1/20	0.38

▸	SSTR4	P31391	1/20	0.38

▸	SSTR3	P32745	1/20	0.38

▸	SSTR5	P35346	1/20	0.38

▸	EGFR	P00533	1/20	0.38

▸	LCK	P06239	1/20	0.38

▸	LDHB	P07195	3/20	0.37

▸	KEAP1	Q14145	1/20	0.37

▸	NFE2L2	Q16236	1/20	0.37

▸	HKDC1	Q2TB90	1/20	0.36

▸	PRLHR	P49683	2/20	0.35

▸	NPY1R	P25929	2/20	0.35

▸	NPY2R	P49146	2/20	0.35

▸	NPY4R	P50391	2/20	0.35

▸	NPY5R	Q15761	2/20	0.35

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
SCHEMBL20366249	0.90	KDM1A (0.58)	KDM1ARCOR1TERF2IP
SCHEMBL25582804	0.85	KDM1A (0.66)	KDM1ARCOR1TERF2IPEGFRLCK
SCHEMBL26181706	0.84	KDM1A (0.78)	KDM1ARCOR1TERF2IPSSTR1SSTR2
SCHEMBL25582800	0.83	KDM1A (0.64)	KDM1ARCOR1TERF2IPSSTR2SSTR4
SCHEMBL25582795	0.82	KDM1A (0.62)	KDM1ARCOR1TERF2IPEGFRLCK
SCHEMBL25582829	0.82	KDM1A (0.61)	KDM1ARCOR1TERF2IPSSTR1SSTR2
SCHEMBL25623302	0.82	KDM1A (0.65)	KDM1ARCOR1TERF2IPSSTR1SSTR2
SCHEMBL25623330	0.81	KDM1A (0.64)	KDM1ARCOR1TERF2IPSSTR1SSTR2
SCHEMBL21258215	0.81	KDM1A (0.78)	KDM1ARCOR1TERF2IPSSTR1SSTR2
SCHEMBL23395792	0.80	KDM1A (0.76)	KDM1ARCOR1TERF2IPSSTR1SSTR2

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-2018128826-A1	COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS	CIDARA THERAPEUTICS, INC. (US)	2018-07-12	—	—	WO	disclosed