SCHEMBL18697358

SCHEMBL18697358

O=C(F)Oc1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
MAOB P27338 2/20 0.43
AOC3 Q16853 1/20 0.43
SOS1 Q07889 1/20 0.43
MAOA P21397 1/20 0.41
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
SCN9A Q15858 1/20 0.36
CPS1 P31327 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL18272392 0.84 CES2 (0.45) CES2CES1MAOBAOC3SOS1
SCHEMBL31126239 0.83 CES2 (0.43) CES2CES1MAOBAOC3SOS1
SCHEMBL823757 0.83 LMNA (0.52) MAOBMAOAGAAMEN1KMT2A
SCHEMBL5265818 0.83 MEN1 (0.57) CES2CES1MAOBAOC3SOS1
SCHEMBL4805336 0.83 CES2 (0.43) CES2CES1MAOBAOC3SOS1
SCHEMBL30063441 0.83 MEN1 (0.57) CES2CES1MAOBAOC3SOS1
SCHEMBL31621879 0.83 LMNA (0.52) MAOBMAOAGAAMEN1KMT2A
SCHEMBL12636049 0.82 CES2 (0.39) CES2CES1MAOBAOC3SOS1
SCHEMBL15763945 0.81 KMT2A (0.42) CES2CES1MAOBAOC3SOS1
SCHEMBL18686712 0.80 RAB9A (0.46) RAB9AMEN1KMT2ASMN1; SMN2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170194664-A1 NONAQUEOUS ELECTROLYTE AND ELECTRICITY STORING DEVICE IN WHICH SAME IS USED MU IONIC SOLUTIONS CORPORATION (JP) 2017-07-06 US disclosed
US-20170194664-A1 NONAQUEOUS ELECTROLYTE AND ELECTRICITY STORING DEVICE IN WHICH SAME IS USED MU IONIC SOLUTIONS CORPORATION (JP) 2017-07-06 US disclosed
EP-3151326-A1 NONAQUEOUS ELECTROLYTE AND ELECTRICITY-STORING DEVICE IN WHICH SAME IS USED Ube Industries, Ltd. (JP) 2017-04-05 EP disclosed