SCHEMBL19545532

CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC1=O

nearest known ligand 0.70

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.70

▸	RCOR1	Q9UKL0	2/20	0.70

▸	SSTR5	P35346	7/20	0.46

▸	SSTR2	P30874	6/20	0.46

▸	SSTR4	P31391	6/20	0.46

▸	KLK7	P49862	3/20	0.44

▸	KEAP1	Q14145	1/20	0.41

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
Polymyxin B Nonapeptide SCHEMBL25547777	0.94	KDM1A (0.77)	KDM1ARCOR1SSTR5SSTR2SSTR4
Polymyxin B Nonapeptide SCHEMBL21498184	0.94	KDM1A (0.77)	KDM1ARCOR1SSTR5SSTR2SSTR4
Polymyxin B Nonapeptide SCHEMBL29358904	0.94	KDM1A (0.77)	KDM1ARCOR1SSTR5SSTR2SSTR4
Polymyxin B Nonapeptide SCHEMBL17882149	0.94	KDM1A (0.77)	KDM1ARCOR1SSTR5SSTR2SSTR4
Polymyxin B Nonapeptide SCHEMBL20108926	0.94	KDM1A (0.77)	KDM1ARCOR1SSTR5SSTR2SSTR4
Polymyxin B Nonapeptide SCHEMBL19386845	0.94	KDM1A (0.77)	KDM1ARCOR1SSTR5SSTR2SSTR4
Spr-741 SCHEMBL21335177	0.91	KDM1A (0.75)	KDM1ARCOR1SSTR5SSTR2SSTR4
Spr-741 SCHEMBL19545979	0.91	KDM1A (0.75)	KDM1ARCOR1SSTR5SSTR2SSTR4
Spr-741 SCHEMBL22106115	0.91	KDM1A (0.75)	KDM1ARCOR1SSTR5SSTR2SSTR4
Spr-741 SCHEMBL21116156	0.91	KDM1A (0.75)	KDM1ARCOR1SSTR5SSTR2SSTR4

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-2017189866-A1	POLYMYXIN ANALOGS USEFUL AS ANTIBIOTIC POTENTIATORS	SPERO OPCO (US)	2017-11-02	—	—	WO	disclosed