SCHEMBL8729974

SCHEMBL8729974

CCP(=O)(COS(=O)(=O)c1ccccc1OC(F)(F)F)OC(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.37
F2 P00734 1/20 0.36
CTRC Q99895 1/20 0.36
ALPL P05186 1/20 0.36
HTR6 P50406 1/20 0.35
CNR2 P34972 2/20 0.35
SLC22A12 Q96S37 3/20 0.34
KCNK3 O14649 3/20 0.34
KCNK9 Q9NPC2 3/20 0.34
SLC40A1 Q9NP59 1/20 0.33
F2R P25116 1/20 0.33
PPARG P37231 2/20 0.32
BRD4 O60885 1/20 0.32
EPHX2 P34913 1/20 0.31
PTGES2 Q9H7Z7 1/20 0.31
RORC P51449 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
SCHEMBL8735596 0.83 MEN1 (0.37) F2SLC22A12
SCHEMBL8732897 0.83 PPARG (0.33) KCNK3KCNK9F2RPPARGEPHX2
SCHEMBL8732023 0.83 KCNK3 (0.33) KCNK3KCNK9F2R
SCHEMBL9069348 0.83 KCNK3 (0.33) KCNK3KCNK9F2RPPARGEPHX2
SCHEMBL8732455 0.81 ALDH1A1 (0.31)
SCHEMBL8735044 0.80 FFAR1 (0.32)
SCHEMBL8762821 0.80 ALDH1A1 (0.38)
SCHEMBL8734981 0.79 ALDH1A1 (0.34) F2HTR6
SCHEMBL8731877 0.78 GAA (0.43) KDM2BF2CTRCALPLHTR6
SCHEMBL8729887 0.77 ALDH1A1 (0.33)

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
EP-0699390-B1 Compositions containing phosphosulfonate herbicides and dichloroacetamide safeners, and method of use ROHM & HAAS (US) 1998-10-07 EP claimed
EP-0699390-A2 Compositions containing phosphosulfonate herbicides and dichloroacetamide safeners, and method of use ROHM AND HAAS COMPANY (US) 1996-03-06 EP claimed