SCHEMBL21716038

SCHEMBL21716038

O=S(=O)(NCCCCCCO)C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.66
CA2 P00918 7/20 0.39
CA1 P00915 6/20 0.39
NPY5R Q15761 1/20 0.37
IDO1 P14902 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRIA1 P42261 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PPARA Q07869 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 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
SCHEMBL1260722 0.98 EPHX1 (0.62) EPHX1CA2CA1NPY5RIDO1
SCHEMBL28462696 0.96 EPHX1 (0.60) EPHX1CA2CA1NPY5RIDO1
SCHEMBL15116353 0.91 EPHX1 (0.59) EPHX1CA2CA1NPY5RIDO1
SCHEMBL606519 0.82 EPHX1 (0.52) EPHX1CA2CA1NPY5RIDO1
SCHEMBL28224025 0.80 EPHX1 (0.50) EPHX1CA2CA1NPY5RIDO1
SCHEMBL15116347 0.79 EPHX1 (1.00) EPHX1CA2CA1PPARACA12
SCHEMBL1319861 0.79 EPHX1 (1.00) EPHX1CA2CA1PPARACA12
SCHEMBL1319040 0.79 EPHX1 (1.00) EPHX1CA2CA1PPARACA12
SCHEMBL1318327 0.79 EPHX1 (1.00) EPHX1CA2CA1PPARACA12
SCHEMBL1321631 0.79 EPHX1 (1.00) EPHX1CA2CA1PPARACA12

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
WO-2020031836-A1 POLYMERIZABLE IONIC LIQUID, POLYMER, CURABLE COMPOSITION, ELECTROCHEMICAL ELEMENT MATERIAL, AND ANTISTATIC MATERIAL セントラル硝子株式会社 2020-02-13 WO disclosed