SCHEMBL9791996

SCHEMBL9791996

CNC(=O)c1ccc(C2[C@]3(O)C(O)C(c4ccccc4)[C@]3(O)[C@]2(O)[C@H](O)CO)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
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
EIF4A1 P60842 1/20 0.33
KIF11 P52732 1/20 0.32
BRD4 O60885 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
PDK2 Q15119 3/20 0.32
ABCB1 P08183 1/20 0.32
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
BRDT Q58F21 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
SCHEMBL9796136 1.00 PLK1 (0.33) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL9792026 0.96 HPGD (0.35) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL9791977 0.93 MAOA (0.38) HTTSMN1; SMN2HDAC2HDAC8HDAC6
SCHEMBL9791908 0.93 MAOA (0.38) HTTSMN1; SMN2HDAC2HDAC8HDAC6
SCHEMBL9791969 0.92 MMP13 (0.40) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL9792031 0.92 USP7 (0.34) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL9792022 0.92 HTT (0.34) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL9792013 0.92 USP7 (0.34) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL9791906 0.91 PLK1 (0.32) PLK1HPGDTSHRHTTSMN1; SMN2
SCHEMBL9792085 0.91 PLK1 (0.32) 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