SCHEMBL25008940

SCHEMBL25008940

C=CC(=O)OCCCCOc1ccc(NNc2ccc(NNc3ccc(NNc4ccc(OCCCCOC(=O)C=C)cc4)cc3OCCOCCOCCOC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
EGFR P00533 11/20 0.37
CHEK1 O14757 1/20 0.37
ITK Q08881 2/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
BTK Q06187 2/20 0.35
JAK2 O60674 1/20 0.35
LYN P07948 1/20 0.35
TEC P42680 1/20 0.35
TXK P42681 1/20 0.35
BMX P51813 1/20 0.35
JAK3 P52333 1/20 0.35
CD69 Q07108 1/20 0.35
TSHR P16473 3/20 0.35
HPGD P15428 1/20 0.35
CYP3A4 P08684 2/20 0.35
ABCB11 O95342 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
SCHEMBL25008939 0.81 THRB (0.45) THRBEGFRALDH1A1L3MBTL1KDM4E
SCHEMBL25008931 0.79 THRB (0.58) THRBALDH1A1L3MBTL1KDM4ETSHR
SCHEMBL25008933 0.79 THRB (0.45) THRBALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL25008936 0.79 THRB (0.45) THRBALDH1A1L3MBTL1KDM4EBTK
SCHEMBL25008937 0.78 THRB (0.52) THRBEGFRALDH1A1LMNATSHR
SCHEMBL25008930 0.77 TSHR (0.46) ALDH1A1TSHRHPGDTP53
SCHEMBL13623371 0.75 THRB (0.54) THRBALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL23730215 0.75 TSHR (0.50) THRBALDH1A1L3MBTL1TSHRHPGD
SCHEMBL20781161 0.74 THRB (0.41) THRBEGFRCHEK1ALDH1A1LMNA
SCHEMBL25008934 0.74 THRB (0.42) THRBEGFRALDH1A1LMNAL3MBTL1

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