SCHEMBL4809840

SCHEMBL4809840

O=c1oc(=O)c2c(C(F)(F)C(F)(F)F)c3c(=O)oc(=O)c3cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.38
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
PLK4 O00444 1/20 0.33
IKBKB O14920 1/20 0.33
AURKA O14965 1/20 0.33
CA12 O43570 1/20 0.33
NUAK1 O60285 1/20 0.33
USP2 O75604 1/20 0.33
GSR P00390 1/20 0.33
EGFR P00533 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
ERBB2 P04626 1/20 0.33
TP53 P04637 1/20 0.33
APP P05067 1/20 0.33
INSR P06213 1/20 0.33
POLB P06746 1/20 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
SCHEMBL4810851 0.83 MITF (0.36) ELANEHPGDKDM4EMEN1PLK4
SCHEMBL11741672 0.81 KDM4E (0.35) HPGDKDM4EMEN1PLK4IKBKB
SCHEMBL9184302 0.72 MAPT (0.39) HPGDKDM4EMEN1PLK4IKBKB
SCHEMBL15120704 0.69 MCL1 (0.37) ELANEHPGDKDM4EMEN1PLK4
SCHEMBL5381715 0.67 ALDH2 (0.42) HPGDKDM4EMEN1PLK4IKBKB
SCHEMBL8418907 0.67 MAPT (0.40) ELANEHPGDKDM4EMEN1PLK4
SCHEMBL15763 0.67 CYP1A2 (0.43) ELANEHPGDKDM4EMEN1PLK4
SCHEMBL1513280 0.66 ESR2 (0.39) HPGDKDM4EMEN1PLK4IKBKB
SCHEMBL17456072 0.64 CYP1A2 (0.42) ELANEHPGDKDM4EMEN1PLK4
SCHEMBL25994740 0.64 CYP1A2 (0.42) ELANEHPGDKDM4EMEN1PLK4

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-7444050-B2 S-shaped curved optical waveguide and optical device HITACHI CHEMICAL COMPANY, LTD. (JP) 2008-10-28 US disclosed
US-20070036501-A1 S-shaped curved optical waveguide and optical device HITACHI CHEMICAL COMPANY, LTD. (JP) 2007-02-15 US disclosed