SCHEMBL6560780

SCHEMBL6560780

C=CC[C@H](NC(=O)[C@@H](N)CCC)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 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.40
METAP1 P53582 3/20 0.40
GPR88 Q9GZN0 9/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CTSC P53634 1/20 0.33
MME P08473 1/20 0.33
MMP2 P08253 3/20 0.33
MMP3 P08254 2/20 0.33

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 0.91 METAP2 (0.44) METAP2METAP1GPR88SMN1; SMN2MME
SCHEMBL6559321 0.91 METAP2 (0.42) METAP2METAP1
SCHEMBL7783697 0.90 METAP2 (0.43) METAP2METAP1GPR88SMN1; SMN2MME
SCHEMBL7741760 0.90 METAP2 (0.47) METAP2METAP1GPR88SMN1; SMN2MMP2
SCHEMBL6559017 0.90 METAP2 (0.47) METAP2METAP1GPR88SMN1; SMN2MMP2
SCHEMBL7787115 0.89 METAP2 (0.44) METAP2METAP1GPR88SMN1; SMN2
SCHEMBL6559287 0.87 METAP2 (0.42) METAP2METAP1GPR88SMN1; SMN2MMP3
SCHEMBL6559275 0.87 METAP2 (0.42) METAP2METAP1GPR88SMN1; SMN2MMP3
SCHEMBL6559210 0.87 METAP2 (0.40) METAP2METAP1GPR88MMEMMP2
SCHEMBL6559216 0.87 METAP2 (0.40) METAP2METAP1GPR88MMEMMP2

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-0998488-B1 POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-03-17 EP disclosed
US-6423869-B1 BACTERICIDES, ANTIULCER AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-07-23 US disclosed