SCHEMBL11343254

SCHEMBL11343254

O=C(O)CNCC(=O)C(S)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.55
ACE P12821 5/20 0.54
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
ECE1 P42892 1/20 0.53
BLM P54132 1/20 0.53
NPEPPS P55786 1/20 0.53
KMT2A Q03164 1/20 0.53
SLC15A1 P46059 1/20 0.46
CPA1 P15085 2/20 0.46
ACE2 Q9BYF1 2/20 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
SCHEMBL11805463 0.79 ACE (0.69) MMEACEALDH1A1HPGDMAPK1
SCHEMBL498453 0.74 MME (0.65) MMEACECPA1ACE2
SCHEMBL4838500 0.74 MME (0.65) MMEACECPA1ACE2
Hydrochloric Acid SCHEMBL7054010 0.72 MME (0.62) MMEACECPA1ACE2
SCHEMBL3411005 0.72 MME (0.58) MMEACEALDH1A1HPGDMAPK1
SCHEMBL28526383 0.72 MME (0.55) MMEACEALDH1A1HPGDMAPK1
SCHEMBL10925267 0.71 MMP2 (0.59) MMESLC15A1
SCHEMBL25432477 0.71 EPHX1 (0.58) MMEACEALDH1A1CPA1ACE2
SCHEMBL8240623 0.71 EPHX1 (0.58) MMEACEALDH1A1CPA1ACE2
SCHEMBL2456064 0.71 MME (0.56) 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-0038758-A1 Amino-acids derivatives and their therapeutic use SOCIETE CIVILE BIOPROJET (FR) 1981-10-28 EP disclosed