SCHEMBL7375071

SCHEMBL7375071

Cc1ccc(CC(CS)C(=O)N[C@](CCC(N)=O)(Nc2ccccc2)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.41
ACE P12821 3/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
ECE1 P42892 1/20 0.40
BLM P54132 1/20 0.40
NPEPPS P55786 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7374659 0.96 MME (0.43) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7369849 0.93 MME (0.47) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7292257 0.92 MME (0.47) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7292266 0.92 MME (0.47) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7378387 0.89 ACE (0.46) MMEACE
SCHEMBL7293824 0.88 MME (0.50) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7293839 0.88 MME (0.50) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7371152 0.86 MME (0.42) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7373687 0.86 MME (0.43) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7376554 0.86 MME (0.43) 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
EP-0341081-B1 Novel amino acid derivatives ONO PHARMACEUTICAL CO (JP) 1995-07-05 EP claimed