SCHEMBL8714848

SCHEMBL8714848

CCOC(=O)CN(C(=O)OCc1ccccc1)c1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.40
GAA P10253 1/20 0.40
PPIB P23284 2/20 0.40
PPID Q08752 2/20 0.40
PPIG Q13427 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ABCB1 P08183 1/20 0.40
PPIA P62937 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAOA P21397 1/20 0.39
LTA4H P09960 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL8905179 0.85 ALDH1A1 (0.47) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL27455845 0.85 ALDH1A1 (0.50) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL8717644 0.83 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1L3MBTL1LMNA
SCHEMBL4349617 0.82 ALDH1A1 (0.48) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL29280746 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CTDSP1L3MBTL1LMNA
SCHEMBL16207467 0.79 ABCB1 (0.50) ALDH1A1MAPTHPGDSMN1; SMN2MAPK1
SCHEMBL5626939 0.78 LMNA (0.47) ALDH1A1MAPTSMN1; SMN2GAAPPIB
SCHEMBL27480557 0.78 ALDH1A1 (0.48) ALDH1A1MAPTHPGDSMN1; SMN2HTT
SCHEMBL25920678 0.78 ALDH1A1 (0.48) ALDH1A1MAPTHPGDSMN1; SMN2HTT
SCHEMBL1826275 0.78 LMNA (0.46) ALDH1A1MAPTHPGDMAPK1L3MBTL1

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
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed