SCHEMBL19546019

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](NS(C)(=O)=O)[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 9)

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

▸	RCOR1	Q9UKL0	2/20	0.70

▸	SSTR5	P35346	8/20	0.42

▸	SSTR2	P30874	7/20	0.42

▸	SSTR4	P31391	6/20	0.42

▸	KLK7	P49862	3/20	0.41

▸	F11	P03951	1/20	0.39

▸	KEAP1	Q14145	1/20	0.39

▸	SSTR3	P32745	1/20	0.38

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
SCHEMBL19545838	0.92	KDM1A (0.73)	KDM1ARCOR1SSTR5SSTR2SSTR4
Spr-741 SCHEMBL21335177	0.92	KDM1A (0.75)	KDM1ARCOR1SSTR5SSTR2SSTR4
Spr-741 SCHEMBL22106115	0.92	KDM1A (0.75)	KDM1ARCOR1SSTR5SSTR2SSTR4
Spr-741 SCHEMBL21116156	0.92	KDM1A (0.75)	KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL19545596	0.92	KDM1A (0.73)	KDM1ARCOR1SSTR5SSTR2SSTR4
Spr-741 SCHEMBL19545979	0.92	KDM1A (0.75)	KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL19545985	0.90	KDM1A (0.73)	KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL19545532	0.90	KDM1A (0.70)	KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL21335148	0.90	KDM1A (0.72)	KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL19546032	0.89	KDM1A (0.72)	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