SCHEMBL9717388

SCHEMBL9717388

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

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
BLM P54132 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC15A1 P46059 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 2/20 0.43
HCAR2 Q8TDS4 1/20 0.42
CDC25B P30305 1/20 0.42

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
SCHEMBL27904416 0.89 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL4178623 0.87 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL7269037 0.83 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL27456123 0.83 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL23142607 0.83 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL10243854 0.83 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL27618454 0.83 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL27580305 0.82 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL2847154 0.81 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL5494025 0.81 ALDH1A1 (0.54) 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
CN-1291892-A Substituted oxoazaheterocyclyl factor Xa inhibitors AWENTIS PHARMACEUTICAL INC (US) 2001-04-18 CN disclosed
WO-1992019274-A1 TECHNETIUM CHELATES TO BE USED FOR DETERMINING THE RENAL FUNCTION MALLINCKRODT MEDICAL, INC. (US) 1992-11-12 WO disclosed