SCHEMBL9763561

SCHEMBL9763561

CCCCCCCCCC1CCC(c2cc(F)c(F)c(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SPHK1 Q9NYA1 6/20 0.37
CYP2C9 P11712 1/20 0.36
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
S1PR3 Q99500 1/20 0.33
SPHK2 Q9NRA0 2/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL9764065 1.00 MAPT (0.40) MAPTGAAMEN1KMT2ASPHK1
SCHEMBL7573131 1.00 MAPT (0.40) MAPTGAAMEN1KMT2ASPHK1
SCHEMBL9764070 1.00 MAPT (0.40) MAPTGAAMEN1KMT2ASPHK1
SCHEMBL9763613 1.00 MAPT (0.40) MAPTGAAMEN1KMT2ASPHK1
SCHEMBL9763968 1.00 MAPT (0.40) MAPTGAAMEN1KMT2ASPHK1
SCHEMBL9763620 1.00 MAPT (0.40) MAPTGAAMEN1KMT2ASPHK1
SCHEMBL7514371 1.00 MAPT (0.40) MAPTGAAMEN1KMT2ASPHK1
SCHEMBL9763556 1.00 MAPT (0.40) MAPTGAAMEN1KMT2ASPHK1
SCHEMBL9763974 1.00 MAPT (0.40) MAPTGAAMEN1KMT2ASPHK1
SCHEMBL9763630 0.98 MAPT (0.39) MAPTGAAMEN1KMT2ASPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5032313-A Trifluorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1991-07-16 US disclosed
EP-0387032-A1 Trifluorobenzene derivatives and liquid crystal compositions containing the same Chisso Corporation (JP) 1990-09-12 EP disclosed