SCHEMBL25008939

SCHEMBL25008939

C=CC(=O)OCCCCOc1ccc(NNc2ccc(NNc3ccc(NNc4ccc(OCCCCOC(=O)C=C)cc4)cc3C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
ALDH1A1 P00352 6/20 0.42
MAPT P10636 4/20 0.42
GAA P10253 3/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 2/20 0.41
HPGD P15428 2/20 0.41
CYP3A4 P08684 1/20 0.41
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HTT P42858 4/20 0.38
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
EGFR P00533 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL25008936 0.95 THRB (0.45) THRBALDH1A1MAPTGAAMAPK1
SCHEMBL25008930 0.95 TSHR (0.46) ALDH1A1MAPTGAAMAPK1TSHR
SCHEMBL25008937 0.94 THRB (0.52) THRBALDH1A1MAPTGAAMAPK1
SCHEMBL25008933 0.88 THRB (0.45) THRBALDH1A1MAPTTSHRHPGD
SCHEMBL25008931 0.86 THRB (0.58) THRBALDH1A1GAATSHRHPGD
SCHEMBL23730215 0.82 TSHR (0.50) THRBALDH1A1GAATSHRHPGD
SCHEMBL25008940 0.81 THRB (0.41) THRBALDH1A1TSHRHPGDCYP3A4
SCHEMBL12370889 0.79 THRB (0.55) THRBALDH1A1TSHRHPGDCYP3A4
SCHEMBL13512762 0.77 TSHR (0.54) THRBALDH1A1GAATSHRHPGD
SCHEMBL12260077 0.77 THRB (0.59) THRBALDH1A1MAPTGAATSHR

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