SCHEMBL6661249

SCHEMBL6661249

CCCc1ccc(C(F)(F)OC(C)c2ccc(C#N)c(F)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP11B1 P15538 7/20 0.37
CYP11B2 P19099 7/20 0.37
TRPV4 Q9HBA0 1/20 0.35
AR P10275 5/20 0.33
CACNA1H O95180 2/20 0.32
DAO P14920 1/20 0.32
PGR P06401 1/20 0.32
TRPA1 O75762 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
SCHEMBL6666058 0.92 TSHR (0.36) KDM4EALDH1A1GAAHPGDL3MBTL1
SCHEMBL6665023 0.91 CYP11B1 (0.38) CYP11B1CYP11B2TRPV4ARCACNA1H
SCHEMBL6666040 0.86 ALDH1A1 (0.33) KDM4EALDH1A1GAAHPGDL3MBTL1
SCHEMBL6665133 0.86 ALDH1A1 (0.34) ALDH1A1L3MBTL1
SCHEMBL6662181 0.83 KMT2A (0.33) GAA
SCHEMBL6667147 0.82 FFAR1 (0.37) DAO
SCHEMBL6665296 0.82 TSHR (0.40) KDM4EALDH1A1GAAHPGDL3MBTL1
SCHEMBL6661128 0.81 KMT2A (0.36) ALDH1A1
SCHEMBL6666741 0.81 PDE2A (0.43) CACNA1H
SCHEMBL6665748 0.80 TAAR1 (0.33) ALDH1A1

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