SCHEMBL11733751

SCHEMBL11733751

COCC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)OC

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.61
LMNA P02545 4/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
NTSR1 P30989 1/20 0.51
FBP1 P09467 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
HTT P42858 1/20 0.47
PAX8 Q06710 1/20 0.47
NFE2L2 Q16236 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL7265045 0.91 GLO1 (0.73) GLO1LMNAALDH1A1KDM4EKMT2A
SCHEMBL10480938 0.89 GLO1 (0.63) GLO1LMNAALDH1A1KDM4EKMT2A
SCHEMBL10480943 0.89 GLO1 (0.63) GLO1LMNAALDH1A1KDM4EKMT2A
SCHEMBL6955232 0.88 GLO1 (0.61) GLO1LMNAALDH1A1KDM4EKMT2A
SCHEMBL30296654 0.86 GLO1 (0.79) GLO1LMNAALDH1A1KDM4EKMT2A
SCHEMBL30477011 0.86 GLO1 (0.79) GLO1LMNAALDH1A1KDM4EKMT2A
SCHEMBL6271821 0.86 GLO1 (0.79) GLO1LMNAALDH1A1KDM4EKMT2A
SCHEMBL6271817 0.86 GLO1 (0.79) GLO1LMNAALDH1A1KDM4EKMT2A
SCHEMBL9667966 0.86 GLO1 (0.79) GLO1LMNAALDH1A1KDM4EKMT2A
SCHEMBL11451987 0.85 GLO1 (0.59) GLO1LMNAALDH1A1KDM4EKMT2A

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
US-4020178-A 1,4-Dihydropyridine esters used as coronary dilators and anti-hypertensives BAYER AKTIENGESELLSCHAFT (DT) 1977-04-26 US disclosed
US-3974278-A 1,4-Dihydropyridine esters BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 US disclosed
US-3971796-A 1,4-Dihydropyridine esters BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed