SCHEMBL4592671

SCHEMBL4592671

COCCCn1cc(C)c2ccc(/C=C(/CO)C(C)C)cc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.42
PDE4A P27815 4/20 0.35
PDE4B Q07343 4/20 0.35
PDE4C Q08493 4/20 0.35
PDE4D Q08499 4/20 0.35
TRPM5 Q9NZQ8 2/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MCL1 Q07820 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL14144412 0.84 REN (0.44) RENPDE4APDE4BPDE4CPDE4D
SCHEMBL2811635 0.80 PTGER4 (0.45) RENPDE4APDE4BPDE4CPDE4D
SCHEMBL4253933 0.79 REN (0.45) REN
SCHEMBL78487 0.76 REN (0.52) RENPDE4APDE4BPDE4CPDE4D
SCHEMBL2805392 0.76 REN (0.43) RENPDE4APDE4BPDE4CPDE4D
SCHEMBL91360 0.75 REN (0.44) RENPDE4APDE4BPDE4CPDE4D
SCHEMBL4732483 0.74 REN (0.40) RENPDE4APDE4BPDE4CPDE4D
SCHEMBL14144409 0.73 REN (0.42) RENPDE4APDE4BPDE4CPDE4D
SCHEMBL4582670 0.73 REN (0.42) RENPDE4APDE4BPDE4CPDE4D
SCHEMBL4602445 0.73 ICMT (0.44) RENPDE4APDE4BPDE4CPDE4D

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
WO-2008077917-A1 PROCESS FOR PREPARING (R OR S)-2-ALKYL-3-HETEROCYCLYL-1-PROPANOLS NOVARTIS AG (CH) 2008-07-03 WO disclosed
WO-2008055939-A2 PROCESS FOR PREPARING 2-ALKYL-3-HETEROCYCLYL- PROP-2-EN- 1-OL DERIVATIVES NOVARTIS AG (CH) 2008-05-15 WO disclosed
WO-2008055939-A2 PROCESS FOR PREPARING 2-ALKYL-3-HETEROCYCLYL- PROP-2-EN- 1-OL DERIVATIVES NOVARTIS AG (CH) 2008-05-15 WO disclosed
EP-1921069-A1 Process for preparing 2-alkyl-3-heterocyclyl-prop-2-en-1-ols Speedel Experimenta AG (CH) 2008-05-14 EP disclosed
EP-1921069-A1 Process for preparing 2-alkyl-3-heterocyclyl-prop-2-en-1-ols Speedel Experimenta AG (CH) 2008-05-14 EP disclosed