SCHEMBL28040411

SCHEMBL28040411

CC(C)c1cccc([Si]([C]2c3ccccc3-c3ccccc32)(c2cccc(C(C)C)c2)c2cccc(C(C)C)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
MDM4 O15151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
TYR P14679 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CA5A P35218 1/20 0.37
HTT P42858 1/20 0.37
MDM2 Q00987 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA9 Q16790 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL28040839 0.85 METAP2 (0.34) KDM4EMAPTHTTSMN1; SMN2LMNA
SCHEMBL25470348 0.81 HDAC4 (0.41) HDAC4HDAC8KDM4EMAPTMDM4
SCHEMBL28040418 0.80 CDC25A (0.33) HDAC4HDAC8KDM4EMAPTMDM4
SCHEMBL28823600 0.76 HDAC4 (0.33) HDAC4HDAC8KDM4EMAPTMDM4
SCHEMBL7626453 0.72 HDAC4 (0.44) HDAC4HDAC8KDM4EMAPTMDM4
SCHEMBL27870094 0.71 MEN1 (0.35) KDM4EMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL12816929 0.70 HDAC4 (0.39) HDAC4HDAC8KDM4EMAPTMDM4
SCHEMBL12817238 0.70 HDAC4 (0.39) HDAC4HDAC8KDM4EMAPTMDM4
Methylamine SCHEMBL28040840 0.70 HDAC4 (0.36) HDAC4HDAC8KDM4EMAPTMDM4
SCHEMBL9177215 0.69 RXRA (0.50) HDAC4HDAC8KDM4EMAPTMDM4

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
CN-102666561-B Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement SUMITOMO CHEMICAL CO.,LTD. (JP) 2015-11-25 CN disclosed