SCHEMBL8733180

SCHEMBL8733180

CCOc1cccc(C(F)(F)F)c1S(=O)(=O)OCP(=O)(OC(C)C)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
RXFP1 Q9HBX9 4/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AR P10275 1/20 0.31
PDK2 Q15119 1/20 0.31
ALDH1A1 P00352 2/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
NFE2L2 Q16236 1/20 0.30
FDFT1 P37268 1/20 0.30
GNRHR P30968 1/20 0.30

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
SCHEMBL8735055 0.95 KCNK3 (0.39) KCNK3KCNK9RXFP1KDM4EKMT2A
SCHEMBL8732851 0.95 KCNK3 (0.39) KCNK3KCNK9RXFP1KDM4EKMT2A
SCHEMBL8734756 0.90 KCNK3 (0.40) KCNK3KCNK9RXFP1KDM4EKMT2A
SCHEMBL8732427 0.90 KCNK3 (0.40) KCNK3KCNK9RXFP1KDM4EKMT2A
SCHEMBL8731887 0.89 NFE2L2 (0.35) KCNK3KCNK9KDM4ELMNANFE2L2
SCHEMBL8734927 0.87 KCNK3 (0.40) KCNK3KCNK9RXFP1KDM4EKMT2A
SCHEMBL8732747 0.86 NFE2L2 (0.33) KCNK3KCNK9LMNANFE2L2
SCHEMBL8732458 0.85 SLC6A2 (0.32)
SCHEMBL8729865 0.84 NFE2L2 (0.34) KDM4ELMNANFE2L2FDFT1
SCHEMBL8732886 0.84 KCNK3 (0.43) KCNK3KCNK9RXFP1KDM4EKMT2A

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