SCHEMBL21556844

SCHEMBL21556844

C=CC(=O)OCCCCCCOc1ccc(-c2ccc(/C=C/C=O)cc2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
APP P05067 5/20 0.37
HTT P42858 1/20 0.36
ALB P02768 1/20 0.35
FFAR4 Q5NUL3 5/20 0.35
FFAR1 O14842 4/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
HPGD P15428 1/20 0.34
PTPN11 Q06124 1/20 0.33

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
SCHEMBL20414537 0.87 APP (0.41) THRBTSHRALDH1A1CYP3A4APP
SCHEMBL20414530 0.86 APP (0.40) THRBTSHRAPPFFAR4FFAR1
SCHEMBL20929817 0.85 KMT2A (0.41) THRBTSHRALDH1A1CYP3A4APP
SCHEMBL815645 0.85 THRB (0.47) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL17340243 0.82 APP (0.40) THRBTSHRALDH1A1CYP3A4APP
SCHEMBL3437308 0.82 CA12 (0.49) THRBTSHRALDH1A1CYP3A4APP
SCHEMBL3437314 0.81 APP (0.39) THRBAPPHTTCA12CA1
SCHEMBL14088550 0.81 THRB (0.48) THRBTSHRALDH1A1CYP3A4APP
SCHEMBL19821117 0.81 THRB (0.43) THRBTSHRALDH1A1CYP3A4HTT
SCHEMBL19821116 0.81 THRB (0.43) THRBTSHRALDH1A1CYP3A4HTT

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-3239273-B1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DAINIPPON INK & CHEMICALS (JP) 2019-11-13 EP disclosed