SCHEMBL8301408

SCHEMBL8301408

O=C(O)C(=O)c1ccc(OC(F)F)c2oc3ccccc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.45
PDE4D Q08499 3/20 0.43
PDE4A P27815 2/20 0.43
PDE4C Q08493 2/20 0.43
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
F2RL1 P55085 1/20 0.38
CDC14B O60729 2/20 0.36
CDC14A Q9UNH5 2/20 0.36
PTPRC P08575 2/20 0.36
PTPN1 P18031 2/20 0.36
PTPN6 P29350 2/20 0.36
EPM2A O95278 1/20 0.36
PTPN2 P17706 1/20 0.36
ACP1 P24666 1/20 0.36
PTPN7 P35236 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 1/20 0.36

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
SCHEMBL5018032 0.90 PDE4B (0.46) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL8298813 0.88 CYP19A1 (0.45) PDE4BKDM4EALDH1A1MAPTF2RL1
SCHEMBL8298298 0.81 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL8299604 0.80 CYP19A1 (0.45) KDM4EALDH1A1MAPTHPGDF2RL1
SCHEMBL8298197 0.80 CYP19A1 (0.47) PDE4BPDE4DPDE4APDE4CF2RL1
SCHEMBL8300121 0.78 PDE4B (0.47) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL8298827 0.78 PDE4B (0.64) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL5026501 0.78 PDE4D (0.51) PDE4BPDE4DPDE4APDE4CKDM4E
SCHEMBL5026521 0.77 CYP19A1 (0.47) PDE4BKDM4EALDH1A1MAPTF2RL1
SCHEMBL8272313 0.77 HTT (0.44) PDE4BPDE4DPDE4APDE4CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004111044-A1 TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS:PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LTD. (US) 2004-12-23 WO disclosed