SCHEMBL9899200

SCHEMBL9899200

O=C1CCCCC1=NOS(=O)(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
MAPT P10636 9/20 0.48
NPSR1 Q6W5P4 6/20 0.48
MPI P34949 5/20 0.48
XBP1 P17861 4/20 0.48
HSP90AA1 P07900 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
RAB9A P51151 5/20 0.46
LMNA P02545 4/20 0.46
S1PR2 O95136 3/20 0.46
PKM P14618 2/20 0.46
HTT P42858 2/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
MAPK1 P28482 4/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
ALOX12 P18054 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL9899199 1.00 ALDH1A1 (0.50) ALDH1A1MAPTNPSR1MPIXBP1
SCHEMBL384594 0.90 ALDH1A1 (0.56) ALDH1A1MAPTNPSR1MPIXBP1
SCHEMBL2048589 0.90 ALDH1A1 (0.56) ALDH1A1MAPTNPSR1MPIXBP1
SCHEMBL9899088 0.89 ALDH1A1 (0.52) ALDH1A1MAPTNPSR1MPIXBP1
SCHEMBL9899089 0.89 ALDH1A1 (0.52) ALDH1A1MAPTNPSR1MPIXBP1
SCHEMBL9898836 0.86 ALDH1A1 (0.51) ALDH1A1MAPTNPSR1MPIXBP1
SCHEMBL9898835 0.86 ALDH1A1 (0.51) ALDH1A1MAPTNPSR1MPIXBP1
SCHEMBL213134 0.83 KMT2A (0.57) ALDH1A1MAPTNPSR1MPIXBP1
SCHEMBL2045896 0.82 ALDH1A1 (0.56) ALDH1A1MAPTNPSR1MPIXBP1
SCHEMBL2045893 0.82 ALDH1A1 (0.56) ALDH1A1MAPTNPSR1MPIXBP1

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