SCHEMBL5310908

SCHEMBL5310908

C=C(CCOCCCC)C(=O)OCCOCCOCCCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
TSHR P16473 8/20 0.44
CYP3A4 P08684 1/20 0.40
DGKA P23743 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
RARB P10826 1/20 0.36
CES2 O00748 1/20 0.35
ACHE P22303 1/20 0.35
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 2/20 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
SCHEMBL5246218 0.93 THRB (0.46) THRBTSHRCYP3A4DGKAALDH1A1
SCHEMBL27503739 0.84 TSHR (0.42) THRBTSHRCYP3A4ALDH1A1HPGD
SCHEMBL9480340 0.83 THRB (0.66) THRBTSHRDGKAALDH1A1TP53
SCHEMBL9056869 0.83 THRB (0.43) THRBTSHRCYP3A4DGKAALDH1A1
SCHEMBL11033121 0.83 MEN1 (0.47) THRBTSHRCYP3A4DGKAALDH1A1
SCHEMBL25403843 0.83 MEN1 (0.47) THRBTSHRCYP3A4DGKAALDH1A1
SCHEMBL9056866 0.83 THRB (0.43) THRBTSHRCYP3A4DGKAALDH1A1
SCHEMBL170886 0.83 TSHR (0.52) THRBTSHRDGKAALDH1A1HPGD
SCHEMBL28365041 0.82 TSHR (0.52) THRBTSHRCYP3A4DGKAALDH1A1
SCHEMBL11517487 0.82 TSHR (0.52) THRBTSHRCYP3A4DGKAALDH1A1

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
WO-2007037497-A1 OPTICAL COMPENSATORY FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2007-04-05 WO disclosed