SCHEMBL22750108

COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)CN(CC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)CC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CA1	P00915	1/20	0.45

▸	CA2	P00918	1/20	0.45

▸	SIRT2	Q8IXJ6	4/20	0.45

▸	SIRT1	Q96EB6	3/20	0.45

▸	SIRT3	Q9NTG7	1/20	0.45

▸	KLK7	P49862	2/20	0.44

▸	KLK5	Q9Y337	2/20	0.44

▸	FOLH1	Q04609	3/20	0.43

▸	CPB1	P15086	1/20	0.40

▸	CPB2	Q96IY4	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
SCHEMBL22750141	0.95	FOLH1 (0.49)	SIRT2SIRT1KLK7KLK5FOLH1
SCHEMBL22750286	0.91	SIRT2 (0.47)	SIRT2SIRT1SIRT3KLK7KLK5
SCHEMBL29454943	0.91	SIRT2 (0.49)	SIRT2SIRT1SIRT3CPB1CPB2
SCHEMBL29454929	0.91	SIRT2 (0.49)	SIRT2SIRT1SIRT3CPB1CPB2
SCHEMBL29454928	0.91	SIRT2 (0.49)	SIRT2SIRT1SIRT3CPB1CPB2
SCHEMBL30391867	0.89	LMNA (0.43)	—
SCHEMBL29454921	0.89	SIRT2 (0.48)	SIRT2SIRT1SIRT3FOLH1CPB1
SCHEMBL30891420	0.89	SIRT2 (0.47)	SIRT2SIRT1SIRT3FOLH1CPB1
SCHEMBL30391887	0.84	MMP13 (0.45)	SIRT2FOLH1
SCHEMBL23519413	0.84	FOLH1 (0.44)	FOLH1

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-2020247297-A1	GLUCOSE-RESPONSIVE INSULIN CONJUGATES	MERCK SHARP & DOHME CORP. (US)	2020-12-10	—	—	WO	disclosed