SCHEMBL7787138

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)[C@@H](O)[C@@H](O)[C@H](O)C(=O)N[C@@H](CC(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	METAP2	P50579	3/20	0.43

▸	METAP1	P53582	3/20	0.43

▸	GPR88	Q9GZN0	7/20	0.38

▸	CTSD	P07339	2/20	0.37

▸	MMP2	P08253	3/20	0.35

▸	MMP3	P08254	2/20	0.35

▸	MME	P08473	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
SCHEMBL6559811	0.95	METAP2 (0.47)	METAP2METAP1GPR88MMP2MMP3
SCHEMBL6559807	0.95	METAP2 (0.47)	METAP2METAP1GPR88MMP2MMP3
SCHEMBL7784103	0.94	METAP2 (0.42)	METAP2METAP1GPR88CTSD
SCHEMBL6559302	0.94	CTSD (0.43)	METAP2METAP1GPR88CTSD
SCHEMBL6559308	0.94	CTSD (0.43)	METAP2METAP1GPR88CTSD
SCHEMBL7784098	0.94	METAP2 (0.42)	METAP2METAP1GPR88CTSD
SCHEMBL6559216	0.91	METAP2 (0.40)	METAP2METAP1GPR88CTSDMMP2
SCHEMBL6559210	0.91	METAP2 (0.40)	METAP2METAP1GPR88CTSDMMP2
SCHEMBL6559251	0.86	METAP2 (0.49)	METAP2METAP1GPR88MMP2MMP3
SCHEMBL7785830	0.86	METAP2 (0.44)	METAP2METAP1GPR88MMP2MMP3

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-1140979-A1	POLYOL COMPOUNDS, THEIR PRODUCTION AND USE	Takeda Chemical Industries, Ltd. (JP)	2001-10-10	—	—	EP	disclosed
WO-2000040599-A1	POLYOL COMPOUNDS, THEIR PRODUCTION AND USE	TAKEDA CHEMICAL INDUSTRIES, LTD. (JP)	2000-07-13	—	—	WO	disclosed