SCHEMBL29315923

SCHEMBL29315923

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
HDAC3 O15379 11/20 0.47
HDAC4 P56524 11/20 0.47
HDAC1 Q13547 11/20 0.47
HDAC7 Q8WUI4 11/20 0.47
HDAC2 Q92769 11/20 0.47
HDAC10 Q969S8 11/20 0.47
HDAC11 Q96DB2 11/20 0.47
HDAC8 Q9BY41 11/20 0.47
HDAC6 Q9UBN7 11/20 0.47
HDAC9 Q9UKV0 11/20 0.47
HDAC5 Q9UQL6 11/20 0.47
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42

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
SCHEMBL29315929 0.99 HDAC3 (0.49) THRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL29315925 0.99 HDAC3 (0.49) THRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL29315919 0.96 THRB (0.51) THRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL29316362 0.94 THRB (0.52) THRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL13607749 0.93 TSHR (0.54) THRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL11938800 0.92 HDAC3 (0.43) THRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL29315983 0.91 THRB (0.56) THRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL29315916 0.91 THRB (0.54) THRBHDAC3HDAC4HDAC1HDAC7
SCHEMBL12411467 0.89 HTT (0.53) THRBTSHRALDH1A1CYP3A4KMT2A
SCHEMBL27131524 0.88 THRB (0.58) THRBHDAC3HDAC4HDAC1HDAC7

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