SCHEMBL9501884

SCHEMBL9501884

CC(C)CCCCCCc1ccc(C(C)C)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 8/20 0.46
HTT P42858 3/20 0.46
TP53 P04637 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAPT P10636 2/20 0.46
ALOX15 P16050 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
ALOX5 P09917 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPA1 O75762 1/20 0.44
PTGS1 P23219 1/20 0.44
CACNA1C Q13936 1/20 0.44
HIF1A Q16665 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX12 P18054 2/20 0.40
GAA P10253 1/20 0.40
RNASEH1 O60930 1/20 0.38
CNR2 P34972 2/20 0.36

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
SCHEMBL9501927 0.87 HTT (0.43) TYRHTTTP53CYP3A4MAPT
SCHEMBL31544891 0.85 TYR (0.65) TYRHTTTP53CYP3A4MAPT
SCHEMBL28248175 0.83 TYR (0.62) TYRHTTTP53CYP3A4MAPT
SCHEMBL5654220 0.83 TYR (0.67) TYRHTTTP53CYP3A4MAPT
SCHEMBL27535045 0.82 TYR (0.47) TYRHTTTP53CYP3A4MAPT
SCHEMBL5164478 0.81 TYR (0.62) TYRHTTTP53CYP3A4MAPT
SCHEMBL8628153 0.81 MEN1 (0.43) TYRHTTTP53CYP3A4MAPT
SCHEMBL31633564 0.79 TYR (0.49) TYRHTTTP53CYP3A4MAPT
SCHEMBL5165516 0.78 TRPA1 (0.52) TYRHTTTP53CYP3A4MAPT
SCHEMBL27026367 0.77 TRPA1 (0.44) TYRHTTTP53CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0318941-B1 DEVELOPER FOR PRESSURE-SENSITIVE RECORDING SHEETS, AQUEOUS DISPERSION OF THE DEVELOPER AND METHOD FOR PREPARING THE DEVELOPER Sanko Kaihatsu Kagaku Kenkyusho (JP) 1993-06-09 EP disclosed
US-5118443-A DEVELOPER FOR PRESSURE-SENSITIVE RECORDING SHEETS, AQUEOUS DISPERSION OF THE DEVELOPER AND METHOD FOR PREPARING THE DEVELOPER SANKO KAIHATSU KAGAKU KENKYUSHO (JP) 1992-06-02 US disclosed
EP-0318941-A2 Developer for pressure-sensitive recording sheets, aqueous dispersion of the developer and method for preparing the developer Sanko Kaihatsu Kagaku Kenkyusho (JP) 1989-06-07 EP disclosed