SCHEMBL29454929

COC(=O)CCCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=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)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)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 0.52

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	SIRT2	Q8IXJ6	14/20	0.49

▸	PTGER4	P35408	3/20	0.47

▸	SIRT1	Q96EB6	12/20	0.45

▸	SIRT3	Q9NTG7	10/20	0.45

▸	CPB1	P15086	1/20	0.42

▸	CPB2	Q96IY4	1/20	0.42

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
SCHEMBL29454943	1.00	SIRT2 (0.49)	SIRT2PTGER4SIRT1SIRT3CPB1
SCHEMBL29454928	1.00	SIRT2 (0.49)	SIRT2PTGER4SIRT1SIRT3CPB1
SCHEMBL29454921	0.96	SIRT2 (0.48)	SIRT2PTGER4SIRT1SIRT3CPB1
SCHEMBL22750286	0.93	SIRT2 (0.47)	SIRT2PTGER4SIRT1SIRT3CPB1
SCHEMBL30891420	0.92	SIRT2 (0.47)	SIRT2PTGER4SIRT1SIRT3CPB1
SCHEMBL22750108	0.91	CA1 (0.45)	SIRT2SIRT1SIRT3CPB1CPB2
SCHEMBL30891479	0.90	SIRT2 (0.47)	SIRT2PTGER4SIRT1SIRT3CPB1
SCHEMBL22750141	0.90	FOLH1 (0.49)	SIRT2PTGER4SIRT1CPB1CPB2
SCHEMBL30392029	0.89	SIRT2 (0.46)	SIRT2PTGER4SIRT1SIRT3
SCHEMBL29454908	0.88	MMP13 (0.44)	—

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
EP-3980052-A1	GLUCOSE-RESPONSIVE INSULIN CONJUGATES	MERCK SHARP & DOHME CORP. (US)	2022-04-13	—	—	EP	disclosed