SCHEMBL10508366

SCHEMBL10508366

CCOc1ccc2c(c1OC)OC(C)(C)C=C2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 1/20 0.45
NR1H4 Q96RI1 1/20 0.43
KDM4E B2RXH2 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HIF1A Q16665 3/20 0.39
ALDH1A1 P00352 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
EPAS1 Q99814 2/20 0.37
COXFA4 O00483 1/20 0.37

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
SCHEMBL10507552 0.89 ODC1 (0.43) ODC1NR1H4KDM4ECASP1CASP7
SCHEMBL10506078 0.88 ODC1 (0.43) ODC1NR1H4KDM4ECASP1CASP7
SCHEMBL4454398 0.86 ODC1 (0.50) ODC1NR1H4KDM4ECASP1CASP7
SCHEMBL10510188 0.85 NR1H4 (0.41) ODC1NR1H4KDM4ECASP1CASP7
SCHEMBL10754732 0.82 TLR3 (0.36) ODC1NR1H4KDM4ECASP1CASP7
SCHEMBL10506086 0.81 ODC1 (0.42) ODC1NR1H4KDM4ECASP1CASP7
SCHEMBL10507292 0.80 ODC1 (0.42) ODC1NR1H4KDM4ECASP1CASP7
SCHEMBL11015336 0.74 ODC1 (0.44) ODC1NR1H4KDM4ECASP1CASP7
SCHEMBL11122006 0.73 NR1H4 (0.49) ODC1NR1H4KDM4ECASP1CASP7
SCHEMBL13422488 0.72 PTPN1 (0.43) ODC1NR1H4KDM4ECASP1CASP7

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-0129636-B1 PROCESS FOR THE PREPARATION OF CHROMEN DERIVATIVES ALKALOIDA VEGYéSZETI GYáR (HU) 1989-01-04 EP disclosed