SCHEMBL7785830

SCHEMBL7785830

CCC[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 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.44
METAP1 P53582 3/20 0.44
GPR88 Q9GZN0 8/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MME P08473 1/20 0.36
MMP2 P08253 3/20 0.35
MMP3 P08254 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7783697 0.95 METAP2 (0.43) METAP2METAP1GPR88SMN1; SMN2MME
SCHEMBL7741760 0.95 METAP2 (0.47) METAP2METAP1GPR88SMN1; SMN2MMP2
SCHEMBL6559017 0.95 METAP2 (0.47) METAP2METAP1GPR88SMN1; SMN2MMP2
SCHEMBL7787115 0.94 METAP2 (0.44) METAP2METAP1GPR88SMN1; SMN2
Hydrochloric Acid SCHEMBL6560796 0.92 METAP2 (0.43) METAP2METAP1GPR88
SCHEMBL6560780 0.91 METAP2 (0.40) METAP2METAP1GPR88SMN1; SMN2MME
SCHEMBL7783699 0.91 METAP2 (0.44) METAP2METAP1GPR88SMN1; SMN2MMP2
SCHEMBL7785937 0.90 METAP2 (0.46) METAP2METAP1
SCHEMBL6560877 0.88 METAP2 (0.47) METAP2METAP1GPR88SMN1; SMN2MMP2
SCHEMBL6559201 0.87 METAP2 (0.47) METAP2METAP1GPR88SMN1; SMN2MMP2

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