SCHEMBL9566684

SCHEMBL9566684

O=C(O)c1cc(F)c(F)c(OCC(F)(F)C(F)(F)C(F)(F)F)c1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.31
ASPH Q12797 1/20 0.31
KDM8 Q8N371 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
MRGPRX4 Q96LA9 3/20 0.30
MAPK1 P28482 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
SCHEMBL9566669 0.91 MAPT (0.40) MAPTTSHRSMN1; SMN2KDM4EASPH
SCHEMBL8946844 0.85 MAPT (0.41) MAPTTSHRSMN1; SMN2KDM4EASPH
SCHEMBL9566702 0.78 MAPT (0.35) MAPTKDM4EASPHKDM8KEAP1
SCHEMBL9566689 0.77 KEAP1 (0.33) MAPTKEAP1NFE2L2
SCHEMBL8593509 0.75 TSHR (0.44) MAPTTSHRSMN1; SMN2KDM4EASPH
SCHEMBL7813771 0.73 KEAP1 (0.37) MAPTKDM4EASPHKDM8KEAP1
SCHEMBL607945 0.73 HSD17B10 (0.44) MAPTTSHRSMN1; SMN2KDM4EKEAP1
SCHEMBL8595728 0.73 MAPT (0.41) MAPTTSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL8595294 0.72 MAPT (0.35) MAPTKDM4EASPHKDM8KEAP1
SCHEMBL9566663 0.72 GAA (0.46) MAPTTSHRSMN1; SMN2KDM4EASPH

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
EP-0545866-A1 Process for the preparation of trifluorobenzol derivatives CIBA-GEIGY AG (CH) 1993-06-09 EP disclosed