SCHEMBL6666040

SCHEMBL6666040

CCCc1ccc(C(F)(F)OC(C)c2cc(F)c(C#N)c(F)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
GLA P06280 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
SCHEMBL6662927 0.92 HSD17B10 (0.38) ALDH1A1TRPV4KDM4E
SCHEMBL6663195 0.90 CYP2A6 (0.34) TRPV4
SCHEMBL6662181 0.87 KMT2A (0.33) MEN1MAPTKMT2AGAA
SCHEMBL6661249 0.86 KDM4E (0.38) ALDH1A1TRPV4KDM4EGAAHPGD
SCHEMBL6665748 0.84 TAAR1 (0.33) ALDH1A1MEN1MAPTKMT2A
SCHEMBL6665133 0.83 ALDH1A1 (0.34) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL6663207 0.82 MEN1 (0.32) MEN1KMT2A
SCHEMBL6665296 0.81 TSHR (0.40) ALDH1A1KDM4EGAAHPGDL3MBTL1
SCHEMBL6664038 0.81
SCHEMBL6661128 0.80 KMT2A (0.36) ALDH1A1MEN1KMT2A

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-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed