SCHEMBL9900521

SCHEMBL9900521

CCCC(=O)C(C)=NOC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES1 P23141 8/20 0.48
CES2 O00748 7/20 0.48
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
FFAR3 O14843 3/20 0.39
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.33
HDAC6 Q9UBN7 1/20 0.31
CTSD P07339 1/20 0.30
CA1 P00915 1/20 0.30

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
SCHEMBL9900520 1.00 CES1 (0.48) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL7921554 0.81
SCHEMBL7921557 0.81
SCHEMBL9900155 0.80 CES1 (0.46) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL9900156 0.80 CES1 (0.46) CES1CES2HDAC3HDAC1HDAC2
Bicarbonate SCHEMBL9434753 0.77 FFAR3 (0.33) CES1CES2FFAR3ALDH1A1
SCHEMBL9898953 0.77 CES1 (0.42) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL9898952 0.77 CES1 (0.42) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL2047388 0.74 TRPA1 (0.33)
SCHEMBL10364908 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748531-B2 Polymers functionalized with oxime compounds containing an acyl group BRIDGESTONE CORPORATION (JP) 2014-06-10 US claimed
US-20120149833-A1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP BRIDGESTONE CORPORATION (JP) 2012-06-14 US claimed
CN-103282386-B Polymers functionalized with oxime compounds containing acyl groups BRIDGESTONE CORP 2015-07-22 CN disclosed
EP-2649102-B1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP BRIDGESTONE CORP (JP) 2014-11-26 EP disclosed
US-8748531-B2 Polymers functionalized with oxime compounds containing an acyl group BRIDGESTONE CORPORATION (JP) 2014-06-10 US disclosed
US-20120149833-A1 POLYMERS FUNCTIONALIZED WITH OXIME COMPOUNDS CONTAINING AN ACYL GROUP BRIDGESTONE CORPORATION (JP) 2012-06-14 US disclosed