SCHEMBL20194337

SCHEMBL20194337

C=C(C)C(=O)OCCCOc1ccc(-c2ccc(/C=C/C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
POLB P06746 1/20 0.55
APEX1 P27695 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PPARA Q07869 6/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
PTPN1 P18031 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
PPARG P37231 1/20 0.38

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
SCHEMBL21401728 0.92 HTT (0.65) HTTPOLBAPEX1TDP1PPARA
SCHEMBL22131044 0.89 POLB (0.63) HTTPOLBAPEX1TDP1PPARA
SCHEMBL18675331 0.89 POLB (0.54) HTTPOLBAPEX1TDP1PPARA
SCHEMBL21299134 0.88 POLB (0.53) HTTPOLBAPEX1TDP1PPARA
SCHEMBL20414533 0.86 POLB (0.57) HTTPOLBAPEX1TDP1PPARA
SCHEMBL22099372 0.85 POLB (0.54) HTTPOLBAPEX1TDP1PPARA
SCHEMBL14400544 0.85 HTT (0.73) HTTPOLBAPEX1TDP1TSHR
SCHEMBL19434087 0.84 POLB (0.62) HTTPOLBAPEX1TDP1PPARA
SCHEMBL22099043 0.83 POLB (0.49) HTTPOLBAPEX1TDP1PPARA
SCHEMBL16982216 0.83 HTT (0.76) HTTPOLBAPEX1TDP1TSHR

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-2933308-B1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING SAME DAINIPPON INK & CHEMICALS (JP) 2018-05-30 EP disclosed