SCHEMBL7735636

SCHEMBL7735636

COc1ccc(CC(=O)Nc2cc(Cl)cc(Br)c2O)cc1OC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
PDE4D Q08499 9/20 0.47
PDE4A P27815 8/20 0.47
PDE4B Q07343 8/20 0.47
PDE4C Q08493 8/20 0.47
GAA P10253 2/20 0.47
GFER P55789 1/20 0.46
POLB P06746 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL7725301 0.88 SMN1; SMN2 (0.47) SMN1; SMN2PDE4DPDE4APDE4BPDE4C
SCHEMBL7734322 0.86 GAA (0.52) SMN1; SMN2PDE4DPDE4APDE4BPDE4C
SCHEMBL7374168 0.86 MEN1 (0.60) SMN1; SMN2PDE4DPDE4APDE4BPDE4C
SCHEMBL7376249 0.86 SMN1; SMN2 (0.46) SMN1; SMN2PDE4DPDE4APDE4BPDE4C
SCHEMBL7373976 0.80 SMN1; SMN2 (0.50) SMN1; SMN2PDE4DPDE4APDE4BPDE4C
SCHEMBL7735278 0.78 PDE4D (0.53) SMN1; SMN2PDE4DPDE4APDE4BPDE4C
SCHEMBL7735233 0.77 PDE5A (0.60) SMN1; SMN2PDE4DPDE4APDE4BPDE4C
SCHEMBL7332617 0.75 PDE4B (0.58) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL7023339 0.75 PDE4B (0.55) PDE4DPDE4APDE4BPDE4CPOLB
SCHEMBL2371289 0.74 PDE4B (0.60) PDE4DPDE4APDE4BPDE4CGAA

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