SCHEMBL212904

SCHEMBL212904

CCCCC(C)=NOC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.43
CES2 O00748 5/20 0.42
ALDH1A1 P00352 5/20 0.41
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CA1 P00915 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
AKR1B1 P15121 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PPARG P37231 4/20 0.33
PPARD Q03181 4/20 0.33
PPARA Q07869 4/20 0.33
TSHR P16473 3/20 0.33
GPR84 Q9NQS5 3/20 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
SCHEMBL212903 1.00 CES1 (0.43) CES1CES2ALDH1A1TP53HSP90AA1
SCHEMBL18840170 1.00 CES1 (0.43) CES1CES2ALDH1A1TP53HSP90AA1
SCHEMBL214867 0.94 HSP90AA1 (0.47) CES1CES2ALDH1A1HSP90AA1MEN1
SCHEMBL214866 0.94 HSP90AA1 (0.47) CES1CES2ALDH1A1HSP90AA1MEN1
SCHEMBL214861 0.92 HSP90AA1 (0.50) CES1CES2ALDH1A1HSP90AA1MEN1
SCHEMBL215527 0.92 HSP90AA1 (0.50) CES1CES2ALDH1A1HSP90AA1MEN1
SCHEMBL214862 0.92 HSP90AA1 (0.50) CES1CES2ALDH1A1HSP90AA1MEN1
SCHEMBL215526 0.92 HSP90AA1 (0.50) CES1CES2ALDH1A1HSP90AA1MEN1
SCHEMBL213904 0.86 HDAC3 (0.42) CES1CES2ALDH1A1HSP90AA1GAA
SCHEMBL213905 0.86 HDAC3 (0.42) CES1CES2ALDH1A1HSP90AA1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077941-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2012-03-29 US claimed
US-8088868-B2 oximation of cojugated homopolymers formed by addtion polymerization of conjugated diene monomer in the presence lanthanide copmpounds as polymerization catalysts; polymers used in the manufacture of tires having reduced hysteresis BRIDGESTONE CORPORATION (JP) 2012-01-03 US claimed
US-20080146745-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2008-06-19 US claimed
US-8541509-B2 Polymers functionalized with protected oxime compounds BRIDGESTONE CORPORATION (JP) 2013-09-24 US disclosed
US-20120077941-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2012-03-29 US disclosed
US-8088868-B2 oximation of cojugated homopolymers formed by addtion polymerization of conjugated diene monomer in the presence lanthanide copmpounds as polymerization catalysts; polymers used in the manufacture of tires having reduced hysteresis BRIDGESTONE CORPORATION (JP) 2012-01-03 US disclosed
US-20080146745-A1 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS BRIDGESTONE CORPORATION (JP) 2008-06-19 US disclosed