SCHEMBL8307269

SCHEMBL8307269

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

nearest known ligand 0.38

Predicted protein targets (top 20)

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 0.38
KDM4E B2RXH2 1/20 0.36
ABCB1 P08183 9/20 0.36
ABCC9 O60706 3/20 0.35
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 0.34
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 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
SCHEMBL8307286 0.78 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMALT1
SCHEMBL8311254 0.75 ALDH1A1 (0.40) MALT1KDM4EMEN1CYP3A4KMT2A
SCHEMBL9523959 0.74 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DMALT1
SCHEMBL8195282 0.74 OPRD1 (0.44) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL10381365 0.74 ABCC9 (0.41) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL9550599 0.74 KDM4E (0.43) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7267318 0.73 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DMALT1
SCHEMBL9088354 0.72 ABCC9 (0.38) PDE4APDE4BPDE4CPDE4DMALT1
SCHEMBL9524863 0.72 CLK4 (0.40) PDE4APDE4BPDE4CPDE4DMALT1
SCHEMBL8642468 0.72 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DMALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP disclosed
EP-0903346-A1 SYDNONE IMINE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-03-24 EP disclosed