SCHEMBL9755809

SCHEMBL9755809

N#CCC(=O)CC(Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.67
ACE P12821 3/20 0.60
ALDH1A1 P00352 2/20 0.60
HPGD P15428 1/20 0.60
MAPK1 P28482 1/20 0.60
HSD17B10 Q99714 1/20 0.60
MEN1 O00255 1/20 0.60
MAPT P10636 1/20 0.60
ECE1 P42892 1/20 0.60
BLM P54132 1/20 0.60
NPEPPS P55786 1/20 0.60
KMT2A Q03164 1/20 0.60
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45

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
SCHEMBL9755807 1.00 MME (0.67) MMEACEALDH1A1HPGDMAPK1
SCHEMBL9755806 0.88 MME (0.62) MMEACEALDH1A1HPGDMAPK1
SCHEMBL9755796 0.82 MME (0.71) MME
SCHEMBL9755800 0.82 MME (0.71) MME
SCHEMBL10447979 0.81 MME (0.81) MMEACEALDH1A1HPGDMAPK1
SCHEMBL9755834 0.81 MME (1.00) MMEACE
SCHEMBL9755802 0.80 MME (0.76) MMEACEECE1
SCHEMBL7325845 0.78 MME (1.00) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7325851 0.78 MME (1.00) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7325857 0.78 MME (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991005763-A1 DIPEPTIDE-ANALOG-BASED METALLOENDOPEPTIDASE INHIBITORS AND METHODS OF USING SAME THE SALK INSTITUTE BIOTECHNOLOGY/INDUSTRIAL ASSOCIATES, INC. (US) 1991-05-02 WO disclosed