SCHEMBL8854596

SCHEMBL8854596

CCc1cccc(C(F)(F)F)c1S(=O)(=O)OCO[PH2]=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
IDO1 P14902 2/20 0.32
RORC P51449 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
SCN8A Q9UQD0 1/20 0.31
CACNA1C Q13936 1/20 0.31
SCN5A Q14524 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
AR P10275 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) KMT2AMEN1SCN8ACYP1A2CYP3A4
SCHEMBL8854563 0.84 SLC22A12 (0.34)
SCHEMBL8854427 0.84 KCNK3 (0.38) KMT2AARTRPA1KDM4EALDH1A1
SCHEMBL8412522 0.83 GABRA1 (0.40) GABRA1GABRB2NPSR1KMT2AMEN1
SCHEMBL8854570 0.83 NFE2L2 (0.36) KMT2AMEN1POLBMAPK1TSHR
SCHEMBL8854482 0.83 AR (0.33) AR
SCHEMBL8854615 0.82 KEAP1 (0.33) GABRA1GABRB2LMNA
SCHEMBL8854425 0.82 SLC6A3 (0.30)
SCHEMBL8854616 0.82 STK10 (0.33)
SCHEMBL27482714 0.82 GABRA1 (0.34) GABRA1GABRB2NPSR1KMT2AMEN1

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