SCHEMBL8854530

SCHEMBL8854530

O=[PH2]OCOS(=O)(=O)c1ccccc1OC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.39
ALPL P05186 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
HTR6 P50406 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
F2 P00734 1/20 0.36
CTRC Q99895 1/20 0.36
RORC P51449 1/20 0.34
NAMPT P43490 2/20 0.33
BRD4 O60885 1/20 0.33
CNR2 P34972 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
LIPE Q05469 1/20 0.32
CCR1 P32246 1/20 0.32
ELANE P08246 1/20 0.32

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
SCHEMBL8854552 0.80 KCNN4 (0.32)
SCHEMBL8854709 0.79 MEN1 (0.43) SLC22A12
SCHEMBL8854750 0.78 SLC22A12 (0.37) SLC22A12ALPLSLC40A1PTGES2HTR6
SCHEMBL8854425 0.78 SLC6A3 (0.30)
SCHEMBL8854547 0.77 MEN1 (0.32)
SCHEMBL8854532 0.76 FFAR4 (0.33)
SCHEMBL8731877 0.74 GAA (0.43) SLC22A12ALPLSLC40A1PTGES2HTR6
SCHEMBL8732648 0.74 SLC22A12 (0.39) SLC22A12ALPLSLC40A1PTGES2HTR6
SCHEMBL8854480 0.74 F2 (0.35) F2
SCHEMBL6972429 0.71 ALPL (0.47) SLC22A12ALPLSLC40A1PTGES2HTR6

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