SCHEMBL29315969

SCHEMBL29315969

C=CC(=O)OCCCCCCOC(=O)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
THRB P10828 1/20 0.51
HDAC1 Q13547 12/20 0.45
HDAC2 Q92769 12/20 0.45
HDAC3 O15379 11/20 0.45
HDAC4 P56524 11/20 0.45
HDAC7 Q8WUI4 11/20 0.45
HDAC10 Q969S8 11/20 0.45
HDAC11 Q96DB2 11/20 0.45
HDAC8 Q9BY41 11/20 0.45
HDAC6 Q9UBN7 11/20 0.45
HDAC9 Q9UKV0 11/20 0.45
HDAC5 Q9UQL6 11/20 0.45
HPGD P15428 1/20 0.44
PDE6D O43924 1/20 0.42
HTT P42858 1/20 0.39
HRH3 Q9Y5N1 3/20 0.39
KCNH2 Q12809 2/20 0.39

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
SCHEMBL29315964 0.96 THRB (0.52) TSHRALDH1A1CYP3A4THRBHDAC1
SCHEMBL29315967 0.93 THRB (0.59) TSHRALDH1A1CYP3A4THRBHDAC1
SCHEMBL16379501 0.91 THRB (0.46) TSHRALDH1A1CYP3A4THRBHDAC1
SCHEMBL8961853 0.90 THRB (0.62) TSHRALDH1A1CYP3A4THRBHDAC1
SCHEMBL16893846 0.87 THRB (0.68) TSHRALDH1A1CYP3A4THRBHDAC1
SCHEMBL16893915 0.87 THRB (0.68) TSHRALDH1A1CYP3A4THRBHDAC1
SCHEMBL16893714 0.87 THRB (0.68) TSHRALDH1A1CYP3A4THRBHDAC1
SCHEMBL16893840 0.87 THRB (0.68) TSHRALDH1A1CYP3A4THRBHDAC1
SCHEMBL1532973 0.87 THRB (0.68) TSHRALDH1A1CYP3A4THRBHDAC1
SCHEMBL16893927 0.87 THRB (0.68) TSHRALDH1A1CYP3A4THRBHDAC1

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-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed