SCHEMBL25008937

SCHEMBL25008937

C=CC(=O)OCCOc1ccc(NNc2ccc(NNc3ccc(NNc4ccc(OCCOC(=O)C=C)cc4)cc3C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.52
ALDH1A1 P00352 8/20 0.42
MAPT P10636 6/20 0.42
GAA P10253 4/20 0.42
MAPK1 P28482 1/20 0.42
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
TSHR P16473 3/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 3/20 0.36
LMNA P02545 1/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL25008939 0.94 THRB (0.45) THRBALDH1A1MAPTGAAMAPK1
SCHEMBL25008936 0.89 THRB (0.45) THRBALDH1A1MAPTGAAMAPK1
SCHEMBL25008930 0.89 TSHR (0.46) ALDH1A1MAPTGAAMAPK1TSHR
SCHEMBL25008933 0.82 THRB (0.45) THRBALDH1A1MAPTTSHRHPGD
SCHEMBL22914590 0.80 THRB (0.39) THRBALDH1A1MAPTGAAMAPK1
SCHEMBL25008931 0.79 THRB (0.58) THRBALDH1A1GAATSHRHPGD
SCHEMBL25008940 0.78 THRB (0.41) THRBALDH1A1TSHRHPGDTP53
SCHEMBL9489063 0.77 THRB (0.83) THRBALDH1A1MAPTTSHRHPGD
SCHEMBL22914575 0.77 THRB (0.41) THRBMAPTMEN1KMT2AEGFR
SCHEMBL39887 0.76 THRB (0.71) THRBALDH1A1MAPTTSHRHPGD

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-20230039106-A1 LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2023-02-09 US disclosed