SCHEMBL23446454

CCCC(NC(=O)CNC(=O)CCC(NC(=O)CCC(N)C(=O)NC(CCC(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	GLO1	Q04760	1/20	0.39

▸	CTSS	P25774	2/20	0.39

▸	CTSK	P43235	2/20	0.39

▸	PTGS1	P23219	1/20	0.36

▸	GSTK1	Q9Y2Q3	1/20	0.36

▸	KMT2A	Q03164	2/20	0.35

▸	POLB	P06746	1/20	0.35

▸	NOD1	Q9Y239	8/20	0.35

▸	L3MBTL1	Q9Y468	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
SCHEMBL24235602	0.96	GLO1 (0.42)	GLO1CTSSCTSKPTGS1GSTK1
SCHEMBL24235726	0.90	GLO1 (0.38)	GLO1PTGS1GSTK1KMT2APOLB
SCHEMBL23446816	0.86	KMT2A (0.42)	GLO1PTGS1GSTK1KMT2APOLB
SCHEMBL24235778	0.82	GLP1R (0.43)	KMT2ANOD1
SCHEMBL7257742	0.82	L3MBTL1 (0.38)	CTSSCTSKKMT2APOLBL3MBTL1
SCHEMBL24235578	0.80	L3MBTL1 (0.32)	GLO1PTGS1GSTK1KMT2APOLB
SCHEMBL10421162	0.79	KMT2A (0.43)	GLO1PTGS1GSTK1KMT2APOLB
SCHEMBL9689060	0.79	KMT2A (0.43)	GLO1PTGS1GSTK1KMT2APOLB
SCHEMBL9688654	0.79	KMT2A (0.43)	GLO1PTGS1GSTK1KMT2APOLB
SCHEMBL9689026	0.79	KMT2A (0.43)	GLO1PTGS1GSTK1KMT2APOLB

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-2021104120-A1	POLYETHYLENE GLYCOL CONJUGATE MEDICAMENT, PREPARATION METHOD THERFOR AND USE THEREOF	重庆阿普格雷生物科技有限公司	2021-06-03	—	—	WO	disclosed