SCHEMBL18048844

Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@@H](CCCN/C(=N/C(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	CTSL	P07711	1/20	0.45

▸	PTGER4	P35408	2/20	0.41

▸	SIRT2	Q8IXJ6	2/20	0.40

▸	SIRT1	Q96EB6	1/20	0.40

▸	SIRT5	Q9NXA8	1/20	0.40

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
SCHEMBL21627097	1.00	CTSL (0.45)	CTSLPTGER4SIRT2SIRT1SIRT5
SCHEMBL21627023	1.00	CTSL (0.45)	CTSLPTGER4SIRT2SIRT1SIRT5
SCHEMBL18048845	1.00	CTSL (0.45)	CTSLPTGER4SIRT2SIRT1SIRT5
SCHEMBL30990572	1.00	CTSL (0.45)	CTSLPTGER4SIRT2SIRT1SIRT5
SCHEMBL16870074	1.00	CTSL (0.45)	CTSLPTGER4SIRT2SIRT1SIRT5
SCHEMBL19862092	0.99	CTSL (0.44)	CTSLPTGER4SIRT2SIRT1SIRT5
SCHEMBL18659588	0.99	CTSL (0.47)	CTSLPTGER4SIRT2SIRT1SIRT5
SCHEMBL21627095	0.94	CTSL (0.50)	CTSLPTGER4SIRT2SIRT1SIRT5
SCHEMBL21627094	0.94	CTSL (0.50)	CTSLPTGER4SIRT2SIRT1SIRT5
SCHEMBL16869914	0.94	CTSL (0.50)	CTSLPTGER4SIRT2SIRT1SIRT5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-3265109-A1	PROCESSES FOR PREPARING PHARMACEUTICALLY RELEVANT PEPTIDES	Stealth BioTherapeutics Corp (MC)	2018-01-10	—	—	EP	disclosed
WO-2016144905-A1	PROCESSES FOR PREPARING PHARMACEUTICALLY RELEVANT PEPTIDES	STEALTH BIOTHERAPEUTICS CORP (MC)	2016-09-15	—	—	WO	disclosed