SCHEMBL10375508

SCHEMBL10375508

CCOC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)COC(C)=O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.79
LMNA P02545 4/20 0.62
KMT2A Q03164 4/20 0.62
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 2/20 0.62
MAPT P10636 3/20 0.50
MEN1 O00255 3/20 0.49
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
PPARG P37231 1/20 0.45
FBP1 P09467 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HSP90AA1 P07900 2/20 0.45
CCR6 P51684 2/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
NPC1 O15118 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44

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
SCHEMBL10376715 1.00 GLO1 (0.79) GLO1LMNAKMT2AALDH1A1KDM4E
SCHEMBL8018753 0.91 GLO1 (0.90) GLO1LMNAKMT2AALDH1A1KDM4E
SCHEMBL10480943 0.90 GLO1 (0.63) GLO1LMNAKMT2AALDH1A1KDM4E
SCHEMBL10480938 0.90 GLO1 (0.63) GLO1LMNAKMT2AALDH1A1KDM4E
SCHEMBL6137188 0.88 GLO1 (1.00) GLO1LMNAKMT2AALDH1A1KDM4E
SCHEMBL29419556 0.88 GLO1 (1.00) GLO1LMNAKMT2AALDH1A1KDM4E
SCHEMBL29419558 0.88 GLO1 (1.00) GLO1LMNAKMT2AALDH1A1KDM4E
SCHEMBL6137191 0.88 GLO1 (1.00) GLO1LMNAKMT2AALDH1A1KDM4E
SCHEMBL7312484 0.88 GLO1 (1.00) GLO1LMNAKMT2AALDH1A1KDM4E
SCHEMBL29419555 0.88 GLO1 (1.00) GLO1LMNAKMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0169712-B1 NEW PYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND COMPOSITION CONTAINING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-12 EP disclosed
US-4798840-A Coronary-active fluorine-containing 1,4-dihydropyridines BAYER AKTIENGESELLSCHAFT (DE) 1989-01-17 US disclosed
US-4698340-A TREATMENT OF CEREBROVASCULAR DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-06 US disclosed
US-4621082-A Pyridopyrimidines, pharmaceutical compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1986-11-04 US disclosed
EP-0169712-A2 New pyrimidine derivatives, processes for preparation thereof and composition containing the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-29 EP disclosed