SCHEMBL20346136

SCHEMBL20346136

C=CC1CCC(CCc2ccc(CCCCC)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CNR2 P34972 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
BCHE P06276 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
SCHEMBL20346134 0.90 CTSL (0.33)
SCHEMBL20346137 0.87 HTR2A (0.33)
SCHEMBL20346135 0.87 GABRA1 (0.34) ALOX5MAPTCNR2THRB
SCHEMBL22277638 0.86 HTR2A (0.32)
SCHEMBL22277286 0.86 TSHR (0.32) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL20346132 0.86 TYR (0.39) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL9485467 0.86 TYR (0.39) TYRMEN1TP53CYP3A4ALOX5
SCHEMBL22277513 0.85 RARB (0.34) MEN1MAPTTSHRKMT2ATHRA
SCHEMBL20346133 0.85 CNR2 (0.34) ALOX5CNR2
SCHEMBL22277438 0.85

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180187079-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-07-05 US disclosed
US-20180187079-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-07-05 US disclosed