SCHEMBL14765908

SCHEMBL14765908

CCCCOc1ccc(C2CCC(OCc3ccc(C4CCC(OCCCC)CC4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.36
CNR2 P34972 7/20 0.34
CNR1 P21554 3/20 0.34
HTR1A P08908 7/20 0.33
HTR1D P28221 6/20 0.33
HTR1B P28222 6/20 0.33
HTR2A P28223 2/20 0.33
HCRTR2 O43614 1/20 0.32
SCN9A Q15858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL14766174 0.97 CRBN (0.35) CRBNCNR2CNR1HTR1AHTR1D
SCHEMBL14765918 0.97 CRBN (0.33) CRBNCNR2CNR1HTR1AHCRTR2
SCHEMBL12736674 0.94 CRBN (0.35) CRBNCNR2CNR1HTR1AHTR1D
SCHEMBL14766406 0.94 CRBN (0.37) CRBNCNR2CNR1HTR1AHTR2A
SCHEMBL14766269 0.93 SLC10A2 (0.33) CRBNCNR2CNR1
SCHEMBL10302640 0.93 CRBN (0.35) CRBNCNR2CNR1HTR1AHTR1D
SCHEMBL14766146 0.92 CRBN (0.32) CRBNCNR2CNR1SCN9A
SCHEMBL12736676 0.92 CNR2 (0.36) CRBNCNR2CNR1HTR1AHTR1D
SCHEMBL12736684 0.91 CNR2 (0.38) CRBNCNR2CNR1HTR1AHTR1D
SCHEMBL12736681 0.91 CNR2 (0.38) CRBNCNR2CNR1HTR1AHTR1D

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
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed