SCHEMBL4454398

SCHEMBL4454398

COc1ccc2c(c1OC)OC(C)(C)C=C2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 1/20 0.50
NR1H4 Q96RI1 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA2 P00918 1/20 0.42
CA13 Q8N1Q1 2/20 0.41
PDE4D Q08499 1/20 0.41
HIF1A Q16665 8/20 0.40
EPAS1 Q99814 2/20 0.40
COXFA4 O00483 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL10508366 0.86 ODC1 (0.45) ODC1NR1H4KDM4ECASP1CASP7
SCHEMBL10507292 0.86 ODC1 (0.42) ODC1NR1H4KDM4ECASP1CASP7
SCHEMBL10507552 0.84 ODC1 (0.43) ODC1NR1H4KDM4ECASP1CASP7
SCHEMBL11015336 0.83 ODC1 (0.44) ODC1NR1H4KDM4ECASP1CASP7
SCHEMBL10506078 0.83 ODC1 (0.43) ODC1NR1H4KDM4ECASP1CASP7
SCHEMBL10510188 0.83 NR1H4 (0.41) ODC1NR1H4KDM4ECASP1CASP7
SCHEMBL10506086 0.82 ODC1 (0.42) ODC1NR1H4KDM4ECASP1CASP7
SCHEMBL31260257 0.78 KDM4E (0.42) ODC1NR1H4KDM4ECASP1CASP7
SCHEMBL13422488 0.78 PTPN1 (0.43) ODC1NR1H4KDM4ECASP1CASP7
SCHEMBL31260281 0.77 CA12 (0.40) 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
WO-2009128583-A1 NOVEL COMPOUNDS AND FRACTIONS FOR ENHANCING UCP EXPRESSION INDUSTRY ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2009-10-22 WO claimed