SCHEMBL20694567

CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@](C)(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)[C@@H](C)O)CCC/C=C/CCC[C@@](C)(C(=O)N[C@H](C(N)=O)C(C)C)NC(=O)[C@H](CC(=O)O)NC1=O

nearest known ligand 0.53

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	ESR1	P03372	4/20	0.53

▸	ESR2	Q92731	4/20	0.53

▸	ACE2	Q9BYF1	1/20	0.52

▸	BCL2A1	Q16548	6/20	0.50

▸	MCL1	Q07820	4/20	0.50

▸	NFE2L2	Q16236	1/20	0.48

▸	CTNNB1	P35222	4/20	0.47

▸	MAFG	O15525	1/20	0.45

▸	EIF4E	P06730	1/20	0.43

▸	EIF4EBP1	Q13541	1/20	0.43

▸	PRKAR2A	P13861	1/20	0.43

▸	PRKAR2B	P31323	1/20	0.43

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
SCHEMBL20694606	0.95	ESR1 (0.51)	ESR1ESR2ACE2BCL2A1MCL1
SCHEMBL22802820	0.94	ESR1 (0.50)	ESR1ESR2ACE2BCL2A1MCL1
SCHEMBL24919561	0.94	ESR1 (0.50)	ESR1ESR2ACE2BCL2A1MCL1
SCHEMBL24919560	0.94	ESR1 (0.50)	ESR1ESR2ACE2BCL2A1MCL1
SCHEMBL20694360	0.94	ESR1 (0.49)	ESR1ESR2ACE2BCL2A1MCL1
SCHEMBL20694604	0.93	ESR1 (0.52)	ESR1ESR2ACE2BCL2A1MCL1
SCHEMBL22802822	0.93	ESR1 (0.52)	ESR1ESR2ACE2BCL2A1MCL1
SCHEMBL24918851	0.93	CTNNB1 (0.49)	ESR1ESR2ACE2BCL2A1MCL1
SCHEMBL26421014	0.93	CTNNB1 (0.49)	ESR1ESR2ACE2BCL2A1MCL1
SCHEMBL24918840	0.92	ESR1 (0.52)	ESR1ESR2ACE2BCL2A1MCL1

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-2019023501-A1	UNIVERSAL ABT COMPOUNDS AND USES THEREOF	KLEO PHARMACEUTICALS, INC. (US)	2019-01-31	—	—	WO	disclosed