SCHEMBL27495686

SCHEMBL27495686

N[C@@](O)(CCCCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
EPHX2 P34913 1/20 0.42
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 3/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC15A1 P46059 2/20 0.40
PTPRC P08575 1/20 0.40
PTPN1 P18031 1/20 0.40
HTT P42858 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
SCHEMBL27494515 1.00 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1EPHX2LMNA
SCHEMBL27494516 1.00 ALDH1A1 (0.47) ALDH1A1MAPK1L3MBTL1EPHX2LMNA
SCHEMBL27494517 0.99 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1EPHX2LMNA
SCHEMBL27483378 0.96 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1EPHX2LMNA
SCHEMBL27483377 0.96 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1EPHX2LMNA
SCHEMBL27541017 0.90 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1EPHX2LMNA
SCHEMBL27482300 0.90 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL27482299 0.90 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1LMNATDP1
SCHEMBL7248792 0.87 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1EPHX2LMNA
SCHEMBL17381371 0.86 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1EPHX2LMNA

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
CN-1187360-C Phosphonic acid derivs, having carboxypeptidase B inhibitory activity MEIJI SEIKA KAISHA (JP) 2005-02-02 CN disclosed
CN-1373766-A Phosphonic acid derivatives having carboxypeptidase B inhibitory activity MEIJI SEIKA KAISHA (JP) 2002-10-09 CN disclosed