SCHEMBL130155

SCHEMBL130155

COCn1c(-c2ccc(OC(F)F)c(OC3CC3)c2)c(C2CC2)c2c(=O)[nH]ncc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 8/20 0.36
PDE4A P27815 7/20 0.36
PDE4B Q07343 6/20 0.36
PDE4C Q08493 5/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL128620 0.80 PRMT5 (0.31) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL128245 0.79 GRIN2B (0.33) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL129930 0.79 PDE4D (0.32) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL4371937 0.79 PDE4D (0.35) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL129045 0.79 PDE4D (0.33) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL125740 0.78 PDE4D (0.33) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL127871 0.77 PDE4D (0.33) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL129318 0.77 GRIN2B (0.32) PDE4DPDE4APDE4BPDE4CKCNH2
SCHEMBL129545 0.77 KCNH2 (0.30) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL128908 0.77 PDE4A (0.35) PDE4DPDE4APDE4BPDE4CCYP2C9

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
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP claimed