SCHEMBL7735233

SCHEMBL7735233

COc1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2O)cc1OC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.60
GAA P10253 2/20 0.48
GFER P55789 1/20 0.48
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
CASP7 P55210 1/20 0.46
CASP6 P55212 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
PARP14 Q460N5 1/20 0.46
PDE4D Q08499 4/20 0.45
PDE4B Q07343 4/20 0.45
PDE4A P27815 3/20 0.45
PDE4C Q08493 3/20 0.45
G6PD P11413 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7734322 0.86 GAA (0.52) PDE5AGAAGFERPARP14PDE4D
SCHEMBL7367293 0.80 EPHX2 (0.55) PDE5ALMNAALDH1A1MAPTPDE4B
SCHEMBL7735278 0.80 PDE4D (0.53) PDE5AGAAGFERLMNAMAPT
SCHEMBL7735636 0.77 SMN1; SMN2 (0.51) GAAGFERLMNAPDE4DPDE4B
SCHEMBL7374168 0.76 MEN1 (0.60) GAAGFERLMNAALDH1A1PDE4D
SCHEMBL7337371 0.75 PDE5A (1.00) PDE5AALDH1A1MAPTPDE4DPDE4B
SCHEMBL7332617 0.73 PDE4B (0.58) PDE4DPDE4BPDE4APDE4CPOLB
SCHEMBL7376249 0.73 SMN1; SMN2 (0.46) GAAGFERLMNAPDE4DPDE4B
SCHEMBL2371289 0.72 PDE4B (0.60) GAAALDH1A1PDE4DPDE4BPDE4A
SCHEMBL7415380 0.71 HTT (0.76) PDE5AGAAALDH1A1MAPTPDE4D

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
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US disclosed
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP disclosed
US-5665737-A PHOSPHODIESTERASE INHIBITORS EURO-CELTIQUE, S.A. (LU) 1997-09-09 US disclosed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP disclosed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed