SCHEMBL7784103

SCHEMBL7784103

CC[C@H](C)[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 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.42
METAP1 P53582 3/20 0.42
BACE1 P56817 6/20 0.38
GPR88 Q9GZN0 4/20 0.37
CTSD P07339 2/20 0.35
CASP1 P29466 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
CASP8 Q14790 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL7784098 1.00 METAP2 (0.42) METAP2METAP1BACE1GPR88CTSD
SCHEMBL7787138 0.94 METAP2 (0.43) METAP2METAP1GPR88CTSD
SCHEMBL6559807 0.93 METAP2 (0.47) METAP2METAP1GPR88
SCHEMBL6559811 0.93 METAP2 (0.47) METAP2METAP1GPR88
SCHEMBL6559302 0.91 CTSD (0.43) METAP2METAP1BACE1GPR88CTSD
SCHEMBL6559308 0.91 CTSD (0.43) METAP2METAP1BACE1GPR88CTSD
SCHEMBL6559210 0.89 METAP2 (0.40) METAP2METAP1GPR88CTSDCASP1
SCHEMBL6559216 0.89 METAP2 (0.40) METAP2METAP1GPR88CTSDCASP1
SCHEMBL7787115 0.87 METAP2 (0.44) METAP2METAP1BACE1GPR88CTSD
SCHEMBL6559251 0.84 METAP2 (0.49) METAP2METAP1GPR88

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