SCHEMBL18697338

SCHEMBL18697338

O=C(F)Oc1cc(F)cc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
CES2 O00748 6/20 0.44
CES1 P23141 6/20 0.44
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
ERN1 O75460 1/20 0.35
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SOD1 P00441 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
HCAR1 Q9BXC0 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GSK3B P49841 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL21810570 0.82 CYP4F2 (0.47) CYP4F2CYP4A11CES2CES1CA12
SCHEMBL4803849 0.78 CYP4F2 (0.44) CYP4F2CYP4A11CES2CES1CA12
SCHEMBL442239 0.78 MEN1 (0.52) CYP4F2CYP4A11CES2CES1CA12
SCHEMBL1995396 0.78 CYP4F2 (0.69) CYP4F2CYP4A11CES2CES1TP53
SCHEMBL9575148 0.78 CYP4F2 (0.41) CYP4F2CYP4A11CES2CES1CA12
SCHEMBL18697278 0.78 ESR1 (0.53) CES2CES1KMT2ANPC1RAB9A
SCHEMBL27495352 0.76 CYP4F2 (0.43) CYP4F2CYP4A11CES2CES1CA12
SCHEMBL15763925 0.76 CYP4F2 (0.47) CYP4F2CYP4A11CES2CES1CA12
SCHEMBL18697364 0.75 CES2 (0.43) CYP4F2CYP4A11CES2CES1CA12
SCHEMBL18697279 0.75 KMT2A (0.46) CES2CES1CA1KMT2ARAB9A

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