SCHEMBL8723871

SCHEMBL8723871

CCON=C(C(C)=NOCc1ccccc1C(=COC)C(=O)OC)c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.35
PTGS2 P35354 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 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
SCHEMBL8723867 1.00 HIF1A (0.35) HIF1APTGS2SMN1; SMN2KDM4EALDH1A1
SCHEMBL7469587 0.96 HIF1A (0.35) HIF1APTGS2SMN1; SMN2KDM4EALDH1A1
SCHEMBL7469583 0.96 HIF1A (0.35) HIF1APTGS2SMN1; SMN2KDM4EALDH1A1
SCHEMBL7875521 0.93 HIF1A (0.42) HIF1APTGS2SMN1; SMN2KDM4EALDH1A1
SCHEMBL7875524 0.93 HIF1A (0.42) HIF1APTGS2SMN1; SMN2KDM4EALDH1A1
SCHEMBL17949969 0.92 HIF1A (0.40) HIF1APTGS2SMN1; SMN2KDM4EMAPT
SCHEMBL7744885 0.88 HIF1A (0.41) HIF1ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL7744887 0.88 HIF1A (0.41) HIF1ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL7463027 0.88 HIF1A (0.40) HIF1APTGS2SMN1; SMN2KDM4EMAPT
SCHEMBL7463026 0.88 HIF1A (0.40) HIF1APTGS2SMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998028262-A1 O-BENZYL OXIME ETHER DERIVATIVES AS PECTICIDES NOVARTIS AG (CH) 1998-07-02 WO disclosed