SCHEMBL11218951

SCHEMBL11218951

N[C@@H](CSCc1ccccc1)C(=O)OC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.46
PPARG P37231 1/20 0.46
IDO1 P14902 1/20 0.44
METAP2 P50579 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC15A1 P46059 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
SCHEMBL8098936 0.84 ALDH1A1 (0.42) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL19331556 0.84 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL16200533 0.84 IDO1 (0.49) PPARAPPARGIDO1METAP2
SCHEMBL10618748 0.84 PPARG (0.49) PPARAPPARGIDO1METAP2
SCHEMBL10937504 0.83 METAP2 (0.44) IDO1METAP2ALDH1A1MAPK1L3MBTL1
SCHEMBL1927887 0.82 ACE (0.46) IDO1METAP2
SCHEMBL11880813 0.82 IDO1 (0.45) PPARAPPARGIDO1METAP2L3MBTL1
SCHEMBL3985411 0.81 SLC7A5 (0.56) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL383649 0.81 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL7272552 0.81 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57183781-A None JP disclosed
JP-S57183781-A 7-(S-BENZYL-CYSTENYL)-4-METHYLCOUMARINYL AMIDE AND DETERMINATION OF CYSTINE AMINOPEPTIDASE ACTIVITY USING THE SAME DAI ICHI PURE CHEM CO LTD 1982-11-12 JP disclosed