SCHEMBL8854563

SCHEMBL8854563

O=[PH2]OCOS(=O)(=O)c1c(F)cccc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
HSD11B1 P28845 1/20 0.32
STIM1 Q13586 1/20 0.31
ORAI1 Q96D31 1/20 0.31
PKM P14618 1/20 0.31
PKLR P30613 1/20 0.31
NFE2L2 Q16236 2/20 0.30
KAT6A Q92794 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
SCHEMBL8854520 0.85 MEN1 (0.34)
SCHEMBL8854596 0.84 GABRA1 (0.34)
SCHEMBL8854570 0.83 NFE2L2 (0.36) SLC22A12NFE2L2
SCHEMBL8854616 0.82 STK10 (0.33)
SCHEMBL8854552 0.81 KCNN4 (0.32)
SCHEMBL8854427 0.81 KCNK3 (0.38) NFE2L2
SCHEMBL27449557 0.81 SLC22A12 (0.34) SLC22A12PTGES2HSD11B1STIM1ORAI1
SCHEMBL27482354 0.81 SLC22A12 (0.37) SLC22A12PTGES2HSD11B1STIM1ORAI1
SCHEMBL8854488 0.80
SCHEMBL8854482 0.80 AR (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693590-A PLANT GROWTH REGULATOR ROHM AND HAAS COMPANY (US) 1997-12-02 US claimed