SCHEMBL10649643

SCHEMBL10649643

COC(=O)C(C(C)=O)C(c1cccc([N+](=O)[O-])c1)C(C(C)=O)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 3/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
ACP3 P15309 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 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
SCHEMBL7271927 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HTTLMNAL3MBTL1
SCHEMBL11257484 0.84 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HTTLMNAL3MBTL1
SCHEMBL29137551 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HTTLMNAL3MBTL1
SCHEMBL5042702 0.82 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HTTLMNAL3MBTL1
SCHEMBL11264404 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HTTLMNAL3MBTL1
SCHEMBL2878642 0.80 PTGS1 (0.55) ALDH1A1SMN1; SMN2HTTLMNAL3MBTL1
SCHEMBL2353731 0.80 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HTTLMNAL3MBTL1
SCHEMBL13916496 0.80 CYP2C19 (0.52) ALDH1A1SMN1; SMN2HTTLMNAL3MBTL1
SCHEMBL11338094 0.80 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HTTLMNAL3MBTL1
SCHEMBL15229336 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HTTLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0093945-B1 1,4-DIHYDROPYRIDINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1988-11-23 EP disclosed
US-4495192-A HYPOTENSIVE AGENTS; VASODILATORS KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-01-22 US disclosed
EP-0093945-A2 1,4-Dihydropyridine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1983-11-16 EP disclosed