SCHEMBL8577259

SCHEMBL8577259

CC(C)(C)[Si](C)(C)Oc1ccc(O[Si](C)(C)C(C)(C)C)c2c1COC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
PREP P48147 3/20 0.38
NUAK1 O60285 1/20 0.36
IGF1R P08069 1/20 0.36
MET P08581 1/20 0.36
PIM1 P11309 1/20 0.36
SRC P12931 1/20 0.36
AXL P30530 1/20 0.36
AKT1 P31749 1/20 0.36
KDR P35968 1/20 0.36
NEK2 P51955 1/20 0.36
PLK1 P53350 1/20 0.36
PTK2 Q05397 1/20 0.36
PKN1 Q16512 1/20 0.36
AURKB Q96GD4 1/20 0.36
NEK6 Q9HC98 1/20 0.36
ALK Q9UM73 1/20 0.36
EPAS1 Q99814 1/20 0.34
CA12 O43570 2/20 0.33

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
SCHEMBL13156749 0.88 EPAS1 (0.38) KDM4ELMNAPREPNUAK1IGF1R
SCHEMBL8575822 0.83 KDM4E (0.42) KDM4ELMNANUAK1IGF1RMET
SCHEMBL9053944 0.78 KDM4E (0.39) KDM4ELMNANUAK1IGF1RMET
SCHEMBL6204130 0.73 KDM4E (0.57) KDM4ELMNANUAK1IGF1RMET
SCHEMBL12553458 0.68 KDM4E (0.57) KDM4ELMNANUAK1IGF1RMET
SCHEMBL1660912 0.68 ADRB2 (0.43) KDM4EPREPCA12CA1CA9
SCHEMBL29993176 0.68 ADRB2 (0.43) KDM4EPREPCA12CA1CA9
SCHEMBL16593838 0.68 PTK2 (0.39) PREPPTK2
SCHEMBL30556213 0.67 CA1 (0.38) PREPCA12CA1CA9ALDH1A1
SCHEMBL29588862 0.66 ADRB2 (0.52) HPGD

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
US-5849750-A Dynemicin analogs CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-12-15 US disclosed
US-5763451-A Dynemicin analogs CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-06-09 US disclosed