SCHEMBL8729873

SCHEMBL8729873

CCOP(=O)(COS(=O)(=O)c1c(OC)cccc1C(F)(F)F)OCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.34
NFE2L2 Q16236 3/20 0.34
LMNA P02545 2/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
KAT6A Q92794 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAOB P27338 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 2/20 0.31
CTSS P25774 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 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
SCHEMBL8732747 0.91 NFE2L2 (0.33) ATMNFE2L2LMNAKCNK3KCNK9
SCHEMBL8734927 0.91 KCNK3 (0.40) LMNAKCNK3KCNK9L3MBTL1KDM4E
SCHEMBL8764125 0.87 CA12 (0.37) KAT6ACA12CA1CA2CA9
SCHEMBL8729869 0.85 GABRA1 (0.33) LMNAKCNK3KCNK9KDM4EMEN1
SCHEMBL8732667 0.85 KDM4E (0.33) LMNAKCNK3KCNK9KDM4EMEN1
SCHEMBL8732902 0.85 PTGES2 (0.34) LMNAKCNK3KCNK9KAT6ACA12
SCHEMBL8731887 0.85 NFE2L2 (0.35) ATMNFE2L2LMNAKCNK3KCNK9
SCHEMBL8729840 0.84 PTPN5 (0.36) ATMNFE2L2LMNAMAOBSMN1; SMN2
SCHEMBL8762778 0.83 ATM (0.37) ATMNFE2L2LMNAKCNK3KCNK9
SCHEMBL8764757 0.83 PTPN5 (0.36) ATMNFE2L2LMNAMAOBSMN1; 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
EP-0699390-B1 Compositions containing phosphosulfonate herbicides and dichloroacetamide safeners, and method of use ROHM & HAAS (US) 1998-10-07 EP claimed