SCHEMBL16425354

SCHEMBL16425354

C=CC(=O)OCC(COc1ccc(C2(c3ccc(OCC(COC(=O)C=C)OC(=O)C(=C)C)cc3)c3ccccc3-c3ccccc32)cc1)OC(=O)C(=C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
AR P10275 1/20 0.36
PDK2 Q15119 2/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
OPRK1 P41145 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL16425357 0.92 THRB (0.34) THRBARPDK2POLBMEN1
SCHEMBL16900325 0.91 CHRM5 (0.32) THRBARPDK2
SCHEMBL25159191 0.91 AR (0.39) ARPDK2POLBMEN1KMT2A
SCHEMBL9926774 0.91 AR (0.39) ARPDK2POLBMEN1KMT2A
SCHEMBL16900532 0.90 AR (0.30) THRBAR
SCHEMBL16425356 0.90 THRB (0.40) THRBARPDK2POLBMEN1
SCHEMBL25159192 0.89 AR (0.38) ARPDK2POLBMEN1KMT2A
SCHEMBL732791 0.87 AR (0.39) THRBARPDK2POLBMEN1
SCHEMBL16425280 0.87 AR (0.36) ARPDK2POLBMEN1KMT2A
SCHEMBL24525712 0.85 AR (0.39) ARPDK2POLBTSHRAPEX1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150029446-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND OPTICAL ANISOTROPIC FILM JNC PETROCHEMICAL CORPORATION (JP) 2015-01-29 US disclosed
US-20150029446-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND OPTICAL ANISOTROPIC FILM JNC PETROCHEMICAL CORPORATION (JP) 2015-01-29 US disclosed