SCHEMBL6666038

SCHEMBL6666038

CCCc1ccc(C(F)(F)OCCc2cc(F)c(C#N)c(F)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CTSS P25774 3/20 0.33
CTSK P43235 3/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ALPL P05186 1/20 0.30
ALPI P09923 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL6662921 0.92 HSD17B10 (0.39) TRPV4ALDH1A1KDM4EHSD17B10
SCHEMBL6663192 0.91 CYP2A6 (0.35) TRPV4
SCHEMBL6661244 0.86 DAO (0.39) TRPV4
SCHEMBL6662178 0.85 TAAR1 (0.33) ALDH1A1GAA
SCHEMBL7731387 0.84 ALPL (0.34) TRPV4ALDH1A1MEN1MAPTKMT2A
SCHEMBL6665746 0.83 TAAR1 (0.35) GAA
SCHEMBL6665292 0.83 TSHR (0.43) CTSSCTSKKDM4EHPGDHSD17B10
SCHEMBL6665130 0.83 TAAR1 (0.33) ALDH1A1MAPTGLAGAAHSD17B10
SCHEMBL6661122 0.82 TAAR1 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL6666943 0.81 ALDH1A1 (0.38) ALDH1A1MEN1MAPTKMT2AMAPK1

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