SCHEMBL22750141

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

nearest known ligand 0.53

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	FOLH1	Q04609	5/20	0.49

▸	SIRT2	Q8IXJ6	2/20	0.43

▸	SIRT1	Q96EB6	1/20	0.43

▸	MMP2	P08253	1/20	0.43

▸	MMP9	P14780	1/20	0.43

▸	ITGB3	P05106	1/20	0.43

▸	ITGAV	P06756	1/20	0.43

▸	CPB1	P15086	1/20	0.43

▸	CPB2	Q96IY4	1/20	0.43

▸	KLK7	P49862	1/20	0.43

▸	KLK5	Q9Y337	1/20	0.43

▸	TGM2	P21980	1/20	0.41

▸	PTGER4	P35408	1/20	0.41

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
SCHEMBL22750108	0.95	CA1 (0.45)	FOLH1SIRT2SIRT1CPB1CPB2
SCHEMBL22750286	0.93	SIRT2 (0.47)	FOLH1SIRT2SIRT1CPB1CPB2
SCHEMBL30391867	0.91	LMNA (0.43)	TGM2
SCHEMBL29454921	0.91	SIRT2 (0.48)	FOLH1SIRT2SIRT1CPB1CPB2
SCHEMBL30891420	0.91	SIRT2 (0.47)	FOLH1SIRT2SIRT1CPB1CPB2
SCHEMBL29454943	0.90	SIRT2 (0.49)	SIRT2SIRT1CPB1CPB2PTGER4
SCHEMBL29454928	0.90	SIRT2 (0.49)	SIRT2SIRT1CPB1CPB2PTGER4
SCHEMBL29454929	0.90	SIRT2 (0.49)	SIRT2SIRT1CPB1CPB2PTGER4
SCHEMBL30391887	0.86	MMP13 (0.45)	FOLH1SIRT2TGM2
SCHEMBL30891265	0.86	SIRT2 (0.49)	FOLH1SIRT2SIRT1ITGB3ITGAV

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-3980052-A1	GLUCOSE-RESPONSIVE INSULIN CONJUGATES	MERCK SHARP & DOHME CORP. (US)	2022-04-13	—	—	EP	disclosed
WO-2020247297-A1	GLUCOSE-RESPONSIVE INSULIN CONJUGATES	MERCK SHARP & DOHME CORP. (US)	2020-12-10	—	—	WO	disclosed