SCHEMBL20366298

C#CCOCCOCCOCCOCCC(=O)N1C[C@@H](C(=O)NC(CC(C)C)C(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)NC(CCN)C(=O)N[C@@H](CCNC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCN)C(=O)N[C@H](C=O)CCN)[C@@H](C)O)[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]2CCNC(=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](Cc3ccccc3)NC(=O)[C@H](CCN)NC2=O)[C@@H](C)O)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.51

▸	RCOR1	Q9UKL0	2/20	0.51

▸	MDM2	Q00987	5/20	0.39

▸	TERF2IP	Q9NYB0	4/20	0.37

▸	NPY2R	P49146	4/20	0.37

▸	NPY1R	P25929	1/20	0.37

▸	NPY4R	P50391	1/20	0.37

▸	NPY5R	Q15761	1/20	0.37

▸	EGFR	P00533	1/20	0.37

▸	LCK	P06239	1/20	0.37

▸	TEAD4	Q15561	1/20	0.36

▸	TEAD3	Q99594	1/20	0.36

▸	HKDC1	Q2TB90	1/20	0.36

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
SCHEMBL25582809	0.87	KDM1A (0.67)	KDM1ARCOR1MDM2TERF2IPEGFR
SCHEMBL25582813	0.85	KDM1A (0.65)	KDM1ARCOR1MDM2TERF2IPEGFR
SCHEMBL26181836	0.83	KDM1A (0.68)	KDM1ARCOR1TERF2IPNPY2RNPY1R
SCHEMBL25582811	0.82	KDM1A (0.61)	KDM1ARCOR1MDM2TERF2IPNPY2R
SCHEMBL26181847	0.82	KDM1A (0.67)	KDM1ARCOR1MDM2TERF2IPEGFR
SCHEMBL25582804	0.82	KDM1A (0.66)	KDM1ARCOR1TERF2IPNPY2RNPY1R
SCHEMBL26181835	0.81	KDM1A (0.65)	KDM1ARCOR1MDM2TERF2IPNPY2R
SCHEMBL25582800	0.81	KDM1A (0.64)	KDM1ARCOR1MDM2TERF2IPNPY2R
SCHEMBL20366249	0.79	KDM1A (0.58)	KDM1ARCOR1MDM2TERF2IP
SCHEMBL25582795	0.79	KDM1A (0.62)	KDM1ARCOR1TERF2IPNPY2RNPY1R

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