SCHEMBL7290676

SCHEMBL7290676

O=C(O)CC[C@@](NC(=O)C(CS)Cc1ccccc1)(Nc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.55
ACE P12821 3/20 0.55
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
ECE1 P42892 1/20 0.51
BLM P54132 1/20 0.51
NPEPPS P55786 1/20 0.51
KMT2A Q03164 1/20 0.51
CPA3 P15088 1/20 0.46
FOLH1 Q04609 1/20 0.46

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
SCHEMBL9813914 1.00 MME (0.55) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7290234 1.00 MME (0.55) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7291854 1.00 MME (0.55) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7281675 0.92 MME (0.50) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7282323 0.92 MME (0.50) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7282329 0.92 MME (0.50) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7282684 0.92 MME (0.50) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7292636 0.92 MME (0.50) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7282693 0.92 MME (0.50) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7292630 0.92 MME (0.50) MMEACEALDH1A1HPGDMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0341081-B1 Novel amino acid derivatives ONO PHARMACEUTICAL CO (JP) 1995-07-05 EP claimed
EP-0341081-A2 Novel amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1989-11-08 EP claimed
EP-0341081-B1 Novel amino acid derivatives ONO PHARMACEUTICAL CO (JP) 1995-07-05 EP disclosed
US-5317021-A Analgesics, anticonvulsants ONO PHARMACEUTICAL CO., LTD. (JP) 1994-05-31 US disclosed
US-5202340-A Analgesics, anticonvulsants, anxiolytic agents, inhibitors for enkephalinases ONO PHARMACEUTICAL CO., LTD. (JP) 1993-04-13 US disclosed
EP-0341081-A2 Novel amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1989-11-08 EP disclosed