SCHEMBL9546696

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N1CCC(=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	KMT2A	Q03164	2/20	0.42

▸	CTSL	P07711	1/20	0.39

▸	PSEN1	P49768	2/20	0.37

▸	PSEN2	P49810	2/20	0.37

▸	APH1B	Q8WW43	2/20	0.37

▸	NCSTN	Q92542	2/20	0.37

▸	APH1A	Q96BI3	2/20	0.37

▸	PSENEN	Q9NZ42	2/20	0.37

▸	APP	P05067	1/20	0.37

▸	BACE1	P56817	1/20	0.37

▸	CYP3A4	P08684	1/20	0.37

▸	SCN9A	Q15858	1/20	0.37

▸	CTSD	P07339	4/20	0.36

▸	REN	P00797	2/20	0.36

▸	CCR1	P32246	3/20	0.35

▸	MAPK1	P28482	1/20	0.35

▸	KLK5	Q9Y337	1/20	0.34

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
SCHEMBL9546703	1.00	KMT2A (0.42)	KMT2ACTSLPSEN1PSEN2APH1B
SCHEMBL9546716	1.00	KMT2A (0.42)	KMT2ACTSLPSEN1PSEN2APH1B
SCHEMBL9546513	0.90	KMT2A (0.43)	KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL9546640	0.89	KMT2A (0.42)	KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL9546630	0.89	KMT2A (0.42)	KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL9546649	0.89	KMT2A (0.42)	KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL9546484	0.88	KMT2A (0.40)	KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL9546470	0.88	KMT2A (0.40)	KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL9546476	0.88	KMT2A (0.40)	KMT2APSEN1PSEN2APH1BNCSTN
SCHEMBL9546434	0.88	KMT2A (0.41)	KMT2ACTSLPSEN1PSEN2APH1B

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-1993023373-A1	N-[N'-(5-AMINO-4-HYDROXY-ACYLOYL)-α-AMINOACYLOYL] SUBSTITUTED HETEROCYCLES AND THEIR USE AS ANTIVIRAL AGENTS	PFIZER LIMITED (GB)	1993-11-25	—	—	WO	disclosed