SCHEMBL7784058

SCHEMBL7784058

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.47
METAP1 P53582 3/20 0.47
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
GPR88 Q9GZN0 7/20 0.37
KIF11 P52732 1/20 0.36
SOAT1 P35610 1/20 0.34
EPHX2 P34913 2/20 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
Hydrochloric Acid SCHEMBL7784059 0.99 METAP2 (0.46) METAP2METAP1CRHBPCRHR2GPR88
Hydrochloric Acid SCHEMBL7784056 0.99 METAP2 (0.46) METAP2METAP1CRHBPCRHR2GPR88
SCHEMBL7779009 0.86 METAP2 (0.42) METAP2METAP1GPR88EPHX2
SCHEMBL29885383 0.86 METAP2 (0.52) METAP2METAP1GPR88SOAT1
SCHEMBL6559785 0.86 METAP2 (0.52) METAP2METAP1GPR88SOAT1
SCHEMBL6559031 0.86 METAP2 (0.52) METAP2METAP1GPR88SOAT1
Hydrochloric Acid SCHEMBL7779006 0.85 METAP2 (0.42) METAP2METAP1GPR88
Hydrochloric Acid SCHEMBL7779012 0.85 METAP2 (0.42) METAP2METAP1GPR88
Hydrochloric Acid SCHEMBL6558941 0.84 METAP2 (0.51) METAP2METAP1GPR88SOAT1
Hydrochloric Acid SCHEMBL6558928 0.84 METAP2 (0.51) METAP2METAP1GPR88SOAT1

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