SCHEMBL9898646

SCHEMBL9898646

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 5/20 0.36
PKM P14618 1/20 0.33
KDM4E B2RXH2 2/20 0.31
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CA2 P00918 1/20 0.30
PTGS1 P23219 1/20 0.30
MMP12 P39900 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
SCHEMBL9898648 1.00 HTT (0.48) HTTMGAMGAASIMGAM2
SCHEMBL2051967 0.90 ALDH1A1 (0.40) HTTMGAMGAASIMGAM2
SCHEMBL2051966 0.90 ALDH1A1 (0.40) HTTMGAMGAASIMGAM2
SCHEMBL9900691 0.89 HTT (0.38) HTTMGAMGAASIMGAM2
SCHEMBL9900689 0.89 HTT (0.38) HTTMGAMGAASIMGAM2
SCHEMBL9900525 0.87 HTT (0.37) HTTMGAMGAASIMGAM2
SCHEMBL9900527 0.87 HTT (0.37) HTTMGAMGAASIMGAM2
SCHEMBL2048622 0.83 PKM (0.35) HTTALDH1A1PKM
SCHEMBL2048624 0.83 PKM (0.35) HTTALDH1A1PKM
SCHEMBL2051216 0.82 ALDH1A1 (0.36) HTTMGAMGAASIMGAM2

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 5 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
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