SCHEMBL9050792

SCHEMBL9050792

C[Si](C)(C)CCOCOc1ccc(OCOCC[Si](C)(C)C)c2c1COC2=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
NUAK1 O60285 1/20 0.32
IGF1R P08069 1/20 0.32
MET P08581 1/20 0.32
PIM1 P11309 1/20 0.32
SRC P12931 1/20 0.32
AXL P30530 1/20 0.32
AKT1 P31749 1/20 0.32
KDR P35968 1/20 0.32
NEK2 P51955 1/20 0.32
PLK1 P53350 1/20 0.32
PTK2 Q05397 1/20 0.32
PKN1 Q16512 1/20 0.32
AURKB Q96GD4 1/20 0.32
NEK6 Q9HC98 1/20 0.32
ALK Q9UM73 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
ACHE P22303 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
SCHEMBL9053543 0.88 KDM4E (0.35) KDM4ELMNANUAK1IGF1RMET
SCHEMBL31496882 0.75 MAOA (0.39) KDM4ELMNAALOX5APFEN1
SCHEMBL12586920 0.69 KDM4E (0.40) KDM4ELMNANUAK1IGF1RMET
SCHEMBL12586660 0.69 KDM4E (0.42) KDM4ELMNANUAK1IGF1RMET
SCHEMBL12586768 0.69 KDM4E (0.39) KDM4ELMNANUAK1IGF1RMET
SCHEMBL28533324 0.69 ALDH1A1 (0.59) KDM4ELMNASRC
SCHEMBL12151419 0.68 NUAK1 (0.46) KDM4ENUAK1IGF1RMETPIM1
SCHEMBL8575822 0.68 KDM4E (0.42) KDM4ELMNANUAK1IGF1RMET
SCHEMBL6204130 0.68 KDM4E (0.57) KDM4ELMNANUAK1IGF1RMET
SCHEMBL5769312 0.68 ALDH1A1 (0.42) KDM4ELMNAALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996003124-A9 DYNEMICIN ANALOGS 1996-03-14 WO disclosed
WO-1996003124-A1 DYNEMICIN ANALOGS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1996-02-08 WO disclosed