SCHEMBL7375555

SCHEMBL7375555

COc1ccc(N[C@@](CCC(N)=O)(NC(=O)C(CS)Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.46
MME P08473 5/20 0.41
KMT2A Q03164 2/20 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
FPR2 P25090 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

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
SCHEMBL7378387 0.96 ACE (0.46) ACEMME
SCHEMBL7294083 0.92 ACE (0.48) ACEMMEKMT2AALDH1A1HPGD
SCHEMBL7294088 0.92 ACE (0.48) ACEMMEKMT2AALDH1A1HPGD
SCHEMBL7374787 0.90 ACE (0.48) ACEMMEKMT2AALDH1A1HPGD
SCHEMBL7369849 0.90 MME (0.47) ACEMMEKMT2AALDH1A1HPGD
SCHEMBL7374659 0.89 MME (0.43) ACEMMEKMT2AALDH1A1HPGD
SCHEMBL7293054 0.89 ACE (0.48) ACEMMEKMT2AALDH1A1HPGD
SCHEMBL7293059 0.89 ACE (0.48) ACEMMEKMT2AALDH1A1HPGD
SCHEMBL7371152 0.88 MME (0.42) ACEMMEKMT2AALDH1A1HPGD
SCHEMBL7373687 0.87 MME (0.43) ACEMMEKMT2AALDH1A1HPGD

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