SCHEMBL7783697

SCHEMBL7783697

CCC[C@H](N)C(=O)N[C@@H](CC)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 8)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.43
METAP1 P53582 3/20 0.43
GPR88 Q9GZN0 8/20 0.38
MMP2 P08253 3/20 0.36
MMP3 P08254 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MME P08473 1/20 0.35
BACE1 P56817 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
SCHEMBL7785830 0.95 METAP2 (0.44) METAP2METAP1GPR88MMP2MMP3
SCHEMBL7741760 0.94 METAP2 (0.47) METAP2METAP1GPR88MMP2MMP3
SCHEMBL6559017 0.94 METAP2 (0.47) METAP2METAP1GPR88MMP2MMP3
SCHEMBL7787115 0.93 METAP2 (0.44) METAP2METAP1GPR88SMN1; SMN2BACE1
Hydrochloric Acid SCHEMBL6560796 0.91 METAP2 (0.43) METAP2METAP1GPR88BACE1
SCHEMBL6560780 0.90 METAP2 (0.40) METAP2METAP1GPR88MMP2MMP3
SCHEMBL7783699 0.90 METAP2 (0.44) METAP2METAP1GPR88MMP2MMP3
SCHEMBL6559201 0.88 METAP2 (0.47) METAP2METAP1GPR88MMP2MMP3
SCHEMBL6559219 0.88 METAP2 (0.47) METAP2METAP1GPR88MMP2MMP3
Hydrochloric Acid SCHEMBL6560458 0.87 METAP2 (0.46) 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.

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