SCHEMBL27554195

SCHEMBL27554195

CC(C)C(N)(C(=O)OCc1ccccc1)P(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.49
PTPRC P08575 1/20 0.49
ALDH1A1 P00352 3/20 0.46
SLC15A1 P46059 1/20 0.46
ELANE P08246 2/20 0.45
PRTN3 P24158 1/20 0.43
TSHR P16473 1/20 0.42
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

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
SCHEMBL28789807 0.81 PTPN1 (0.52) PTPN1PTPRCALDH1A1TSHRMAPK1
SCHEMBL23542539 0.79 ALDH1A1 (0.51) ALDH1A1SLC15A1MAPK1L3MBTL1SLC6A2
SCHEMBL27616534 0.79 ALDH1A1 (0.51) ALDH1A1SLC15A1MAPK1L3MBTL1SLC6A2
SCHEMBL6064496 0.78 ALDH1A1 (0.50) ALDH1A1SLC15A1MAPK1L3MBTL1SLC6A2
SCHEMBL6064499 0.78 ALDH1A1 (0.50) ALDH1A1SLC15A1MAPK1L3MBTL1SLC6A2
SCHEMBL2659137 0.77 PTPN1 (0.55) PTPN1PTPRCALDH1A1TSHRMAPK1
SCHEMBL30600448 0.76 ALDH1A1 (0.51) ALDH1A1SLC15A1MAPK1L3MBTL1SLC6A2
SCHEMBL8201762 0.75 ALDH1A1 (0.55) ALDH1A1SLC15A1MAPK1L3MBTL1SLC6A2
SCHEMBL20934789 0.75 ALDH1A1 (0.55) PTPN1PTPRCALDH1A1SLC15A1MAPK1
SCHEMBL20111501 0.75 ALDH1A1 (0.55) ALDH1A1SLC15A1MAPK1L3MBTL1SLC6A2

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-1332964-C Plasma carboxypeptidase B inhibitors SCHERING AG (DE) 2007-08-22 CN disclosed
CN-1656107-A Plasma carboxypeptidase B inhibitors SCHERING AG (DE) 2005-08-17 CN disclosed