SCHEMBL7784068

SCHEMBL7784068

CSCC[C@H](N)C(=O)N[C@@H](CC(N)=O)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 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.44
METAP1 P53582 3/20 0.44
BACE1 P56817 8/20 0.39
FNTA P49354 3/20 0.38
FNTB P49356 3/20 0.38
PGGT1B P53609 3/20 0.38
CTSD P07339 1/20 0.36

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL7785937 0.94 METAP2 (0.46) METAP2METAP1BACE1FNTAFNTB
SCHEMBL6559186 0.93 METAP2 (0.50) METAP2METAP1FNTAFNTBPGGT1B
SCHEMBL6558505 0.91 METAP2 (0.46) METAP2METAP1BACE1FNTAFNTB
SCHEMBL7787115 0.91 METAP2 (0.44) METAP2METAP1BACE1CTSD
SCHEMBL6559321 0.89 METAP2 (0.42) METAP2METAP1BACE1FNTAFNTB
SCHEMBL6558831 0.85 METAP2 (0.49) METAP2METAP1
SCHEMBL7785830 0.84 METAP2 (0.44) METAP2METAP1
SCHEMBL6558906 0.83 PSMB1 (0.43) METAP2METAP1BACE1CTSD
SCHEMBL6558918 0.83 METAP2 (0.47) METAP2METAP1BACE1CTSD
SCHEMBL6560877 0.83 METAP2 (0.47) METAP2METAP1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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