SCHEMBL29315929

SCHEMBL29315929

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 12/20 0.49
HDAC4 P56524 12/20 0.49
HDAC1 Q13547 12/20 0.49
HDAC7 Q8WUI4 12/20 0.49
HDAC2 Q92769 12/20 0.49
HDAC10 Q969S8 12/20 0.49
HDAC11 Q96DB2 12/20 0.49
HDAC8 Q9BY41 12/20 0.49
HDAC6 Q9UBN7 12/20 0.49
HDAC9 Q9UKV0 12/20 0.49
HDAC5 Q9UQL6 12/20 0.49
THRB P10828 1/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
KMT2A Q03164 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
HPGD P15428 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
SCHEMBL29315925 1.00 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29315923 0.99 THRB (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29315919 0.95 THRB (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13607749 0.95 TSHR (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11938800 0.93 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29316362 0.92 THRB (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12411467 0.90 HTT (0.53) THRBTSHRALDH1A1CYP3A4KMT2A
SCHEMBL29315983 0.90 THRB (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29315916 0.89 THRB (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29315969 0.87 TSHR (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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