SCHEMBL8307286

SCHEMBL8307286

CC1(C)C=C(C=O)c2cc(C#N)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
MALT1 Q9UDY8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ABCB1 P08183 8/20 0.35
ABCC9 O60706 4/20 0.34
KCNE1 P15382 3/20 0.34
KCNQ1 P51787 3/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
KCND3 Q9UK17 1/20 0.34
CASP3 P42574 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
SCHEMBL8307269 0.78 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMALT1
SCHEMBL7031589 0.75 PPIB (0.43) MALT1KDM4EABCB1
SCHEMBL9394341 0.75 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DMALT1
SCHEMBL9197799 0.75 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DMALT1
SCHEMBL9299687 0.75 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DMALT1
SCHEMBL8311258 0.74 ALDH1A1 (0.40) MALT1KDM4EMEN1CYP3A4KMT2A
SCHEMBL8195282 0.73 OPRD1 (0.44) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9523959 0.73 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMALT1
SCHEMBL9550599 0.73 KDM4E (0.43) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL10381365 0.73 ABCC9 (0.41) PDE4APDE4BPDE4CPDE4DKDM4E

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-0903346-A1 SYDNONE IMINE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-03-24 EP disclosed