SCHEMBL6666058

SCHEMBL6666058

CCCCCc1ccc(C(F)(F)OC(C)c2ccc(C#N)c(F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP11B1 P15538 4/20 0.35
CYP11B2 P19099 4/20 0.35
TRPV1 Q8NER1 2/20 0.33
HTR2A P28223 2/20 0.33
FAAH O00519 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
RARB P10826 2/20 0.32
AR P10275 1/20 0.32
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PLA2G4A P47712 1/20 0.32
PLK1 P53350 1/20 0.31
CACNA1H O95180 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
SCHEMBL6661249 0.92 KDM4E (0.38) CYP11B1CYP11B2TRPV4ARKDM4E
SCHEMBL6665023 0.88 CYP11B1 (0.38) CYP11B1CYP11B2TRPV4ARCACNA1H
SCHEMBL6662927 0.87 HSD17B10 (0.38) TSHRHSD17B10TRPV1HTR2AFAAH
SCHEMBL6663948 0.87 HTR2A (0.37) HSD17B10TRPV1HTR2AFAAHRARB
SCHEMBL6662865 0.84 HTR2A (0.39) HSD17B10TRPV1HTR2AFAAHRARB
SCHEMBL6666303 0.84 TRPV1 (0.36) TRPV1HTR2AFAAHRARBRARA
SCHEMBL6666751 0.83 HSD17B10 (0.52) TSHRHSD17B10HTR2AFAAHKDM4E
SCHEMBL6662955 0.83 HTR2A (0.42) HSD17B10TRPV1HTR2AFAAHKDM4E
SCHEMBL6660713 0.82 PDE2A (0.41) TRPV1HTR2AFAAHCACNA1H
SCHEMBL6661194 0.81 HTR2A (0.36) HSD17B10TRPV1HTR2AFAAHRARB

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