SCHEMBL29316362

SCHEMBL29316362

C=CC(=O)OCCCCOC(=O)CCC(=O)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
HDAC1 Q13547 12/20 0.46
HDAC2 Q92769 12/20 0.46
HDAC3 O15379 11/20 0.46
HDAC4 P56524 11/20 0.46
HDAC7 Q8WUI4 11/20 0.46
HDAC10 Q969S8 11/20 0.46
HDAC11 Q96DB2 11/20 0.46
HDAC8 Q9BY41 11/20 0.46
HDAC6 Q9UBN7 11/20 0.46
HDAC9 Q9UKV0 11/20 0.46
HDAC5 Q9UQL6 11/20 0.46
TSHR P16473 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.42
MMP3 P08254 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL27131524 0.95 THRB (0.58) THRBHDAC1HDAC2HDAC3HDAC4
SCHEMBL29315923 0.94 THRB (0.50) THRBHDAC1HDAC2HDAC3HDAC4
SCHEMBL29315983 0.92 THRB (0.56) THRBHDAC1HDAC2HDAC3HDAC4
SCHEMBL29315925 0.92 HDAC3 (0.49) THRBHDAC1HDAC2HDAC3HDAC4
SCHEMBL29315929 0.92 HDAC3 (0.49) THRBHDAC1HDAC2HDAC3HDAC4
SCHEMBL29315919 0.92 THRB (0.51) THRBHDAC1HDAC2HDAC3HDAC4
SCHEMBL29315916 0.89 THRB (0.54) THRBHDAC1HDAC2HDAC3HDAC4
SCHEMBL19978539 0.89 THRB (0.53) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL13607749 0.87 TSHR (0.54) THRBHDAC1HDAC2HDAC3HDAC4
SCHEMBL16893724 0.86 THRB (0.69) THRBHDAC1HDAC2HDAC3HDAC4

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