SCHEMBL213904

SCHEMBL213904

CCC/C(C)=N/OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC8 Q9BY41 4/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 3/20 0.39
CES1 P23141 2/20 0.38
CES2 O00748 1/20 0.38
FFAR3 O14843 3/20 0.36
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HSP90AA1 P07900 1/20 0.32
PKM P14618 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTSD P07339 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
SCHEMBL213905 1.00 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL2050853 0.87 ALDH1A1 (0.36) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL2050851 0.87 ALDH1A1 (0.36) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL212903 0.86 CES1 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL212904 0.86 CES1 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18840170 0.86 CES1 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL214866 0.85 HSP90AA1 (0.47) ALDH1A1CES1CES2TSHRHSD17B10
SCHEMBL214867 0.85 HSP90AA1 (0.47) ALDH1A1CES1CES2TSHRHSD17B10
SCHEMBL213415 0.83 ALDH1A1 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL214861 0.83 HSP90AA1 (0.50) ALDH1A1CES1CES2TSHRHSD17B10

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