SCHEMBL29315919

SCHEMBL29315919

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.51
TSHR P16473 2/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 1/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
HDAC3 O15379 8/20 0.42
HDAC4 P56524 8/20 0.42
HDAC1 Q13547 8/20 0.42
HDAC7 Q8WUI4 8/20 0.42
HDAC2 Q92769 8/20 0.42
HDAC10 Q969S8 8/20 0.42
HDAC11 Q96DB2 8/20 0.42
HDAC8 Q9BY41 8/20 0.42
HDAC6 Q9UBN7 8/20 0.42
HDAC9 Q9UKV0 8/20 0.42
HDAC5 Q9UQL6 8/20 0.42
FFAR1 O14842 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
SCHEMBL29315923 0.96 THRB (0.50) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL29315929 0.95 HDAC3 (0.49) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL29315925 0.95 HDAC3 (0.49) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL29316362 0.92 THRB (0.52) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL29315983 0.92 THRB (0.56) THRBKMT2AEGFRERBB2HDAC3
SCHEMBL29315916 0.92 THRB (0.54) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL27131524 0.89 THRB (0.58) THRBTSHRALDH1A1KMT2AEGFR
SCHEMBL13607749 0.89 TSHR (0.54) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL11938800 0.88 HDAC3 (0.43) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL29315964 0.85 THRB (0.52) THRBTSHRHPGDALDH1A1CYP3A4

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