SCHEMBL9792013

SCHEMBL9792013

CNC(=O)c1ccc(C2[C@]3(O)C(O)C(c4ccc(O)cc4)[C@]3(O)[C@]2(O)[C@H](O)CO)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.34
PLK1 P53350 5/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MPO P05164 1/20 0.31
CYP3A4 P08684 1/20 0.31
KDM5A P29375 1/20 0.31
BLM P54132 1/20 0.31
GFER P55789 1/20 0.31
PMP22 Q01453 1/20 0.31
HIF1A Q16665 1/20 0.31
MMP13 P45452 1/20 0.30
PDK1 Q15118 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
SCHEMBL9792031 1.00 USP7 (0.34) USP7PLK1HPGDTSHRHTT
SCHEMBL9792026 0.96 HPGD (0.35) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL9791996 0.92 PLK1 (0.33) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL9792022 0.92 HTT (0.34) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL9796136 0.92 PLK1 (0.33) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL9791969 0.92 MMP13 (0.40) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL9792085 0.91 PLK1 (0.32) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL9791906 0.91 PLK1 (0.32) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL9791980 0.90 PLK1 (0.47) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL9791917 0.90 PLK1 (0.47) PLK1HPGDTSHRHTTSMN1; SMN2

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
US-4996334-A Dibenzylidenesorbitols for gelatinizing oils and liquids, increasing transparency and rigidity in resins, improving viscosity of coatings and stabilizing emulsions MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1991-02-26 US disclosed