SCHEMBL1714642

SCHEMBL1714642

O=C(O)OC1CCC(C(F)(F)F)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ENPP2 Q13822 3/20 0.34
▸ MAPT P10636 2/20 0.33
▸ HCRTR2 O43614 2/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ SCN9A Q15858 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ GPR35 Q9HC97 1/20 0.31
▸ CYP19A1 P11511 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
SCHEMBL29222540 0.81 HCRTR2 (0.37) MAPTHCRTR2APOBEC3AAPOBEC3GSCN9A
SCHEMBL126557 0.81 SERPINE1 (0.38) —
SCHEMBL26834 0.81 SERPINE1 (0.38) —
SCHEMBL374062 0.81 — —
SCHEMBL1138479 0.81 SERPINE1 (0.38) —
SCHEMBL28199763 0.78 MAPT (0.51) ENPP2MAPTAPOBEC3AAPOBEC3GKDM4E
Hydrochloric Acid SCHEMBL4395687 0.78 — —
SCHEMBL26357095 0.78 MAPT (0.37) ENPP2MAPTHCRTR2APOBEC3AAPOBEC3G
SCHEMBL21122754 0.76 GPR35 (0.34) MAPTHCRTR2GPR35
SCHEMBL12517730 0.76 SCN9A (0.37) MAPTHCRTR2APOBEC3AAPOBEC3GSCN9A

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
EP-1220841-B1 TRIFLUOROMETHYL-SUBSTITUTED SPIROCYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2011-07-20 — — EP disclosed
EP-1220841-A2 TRIFLUOROMETHYL-SUBSTITUTED SPIROCYCLIC KETOENOLS Bayer Aktiengesellschaft (DE) 2002-07-10 — — EP disclosed
WO-2001023354-A2 TRIFLUOROMETHYL-SUBSTITUTED SPIROCYCLIC KETOENOLS AND USE THEREOF AS PESTICIDES AND HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-04-05 — — WO disclosed
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