SCHEMBL31423404

SCHEMBL31423404

CC(OC(F)(F)F)C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
CES1 P23141 2/20 0.44
KMT2A Q03164 3/20 0.43
PGR P06401 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
KCNH2 Q12809 1/20 0.43
HCRTR1 O43613 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
AR P10275 1/20 0.42
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL28970601 0.80 TSHR (0.43) CES1KMT2AADRA2AADRA2BHTR2A
SCHEMBL10712444 0.79 MAPT (0.42) MAPTCES1KMT2APGRADRA2A
SCHEMBL5424308 0.78 MAPT (0.50) MAPTCES1KMT2APGRADRA2A
SCHEMBL27457467 0.78 CES1 (0.44) MAPTCES1KMT2APGRADRA2A
SCHEMBL6341233 0.78 CES1 (0.44) MAPTCES1KMT2APGRADRA2A
SCHEMBL17311058 0.77 PGR (0.44) MAPTCES1KMT2APGRADRA2A
SCHEMBL2598221 0.76 MAPT (0.53) MAPTCES1KMT2APGRADRA2A
SCHEMBL28309154 0.76 KMT2A (0.45) CES1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL7724578 0.75 TDP1 (0.44) MAPTCES1KMT2APGRADRA2A
SCHEMBL11896536 0.75 TSHR (0.50) MAPTCES1KMT2ATDP1ALDH1A1

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-4495125-A1 A CATALYST FREE SYNTHESIS METHOD FOR INTRODUCING A TRIFLUOROMETHOXY MOIETY INTO AT LEAST ONE ORGANIC COMPOUND Freie Universität Berlin (DE) 2025-01-22 EP disclosed