SCHEMBL9900527

SCHEMBL9900527

CC(=O)CC(CC(C)=NOC(C)=O)=NOC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
PKM P14618 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL9900525 1.00 HTT (0.37) HTTMGAMGAASIMGAM2
SCHEMBL2048624 0.94 PKM (0.35) HTTPKMALDH1A1
SCHEMBL2048622 0.94 PKM (0.35) HTTPKMALDH1A1
SCHEMBL2051215 0.88 ALDH1A1 (0.36) HTTMGAMGAASIMGAM2
SCHEMBL2051216 0.88 ALDH1A1 (0.36) HTTMGAMGAASIMGAM2
SCHEMBL9898648 0.87 HTT (0.48) HTTMGAMGAASIMGAM2
SCHEMBL9898646 0.87 HTT (0.48) HTTMGAMGAASIMGAM2
SCHEMBL2051967 0.82 ALDH1A1 (0.40) HTTMGAMGAASIMGAM2
SCHEMBL2051966 0.82 ALDH1A1 (0.40) HTTMGAMGAASIMGAM2
SCHEMBL9900691 0.81 HTT (0.38) 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