SCHEMBL29316068

SCHEMBL29316068

C=C(C)C(=O)OCCOC(=O)CCCC(=O)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
HTT P42858 1/20 0.48
HDAC3 O15379 10/20 0.44
HDAC4 P56524 10/20 0.44
HDAC1 Q13547 10/20 0.44
HDAC7 Q8WUI4 10/20 0.44
HDAC2 Q92769 10/20 0.44
HDAC10 Q969S8 10/20 0.44
HDAC11 Q96DB2 10/20 0.44
HDAC8 Q9BY41 10/20 0.44
HDAC6 Q9UBN7 10/20 0.44
HDAC9 Q9UKV0 10/20 0.44
HDAC5 Q9UQL6 10/20 0.44
KMT2A Q03164 1/20 0.44
ELANE P08246 1/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
LTA4H P09960 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
SCHEMBL29316064 0.97 POLB (0.48) TDP1POLBAPEX1HTTHDAC3
SCHEMBL29316071 0.96 POLB (0.50) TDP1POLBAPEX1HTTHDAC3
SCHEMBL29316059 0.95 TDP1 (0.47) TDP1POLBAPEX1HTTHDAC3
SCHEMBL29316013 0.92 HTT (0.50) TDP1POLBAPEX1HTTHDAC3
SCHEMBL29316011 0.91 POLB (0.52) TDP1POLBAPEX1HTTHDAC3
SCHEMBL29316014 0.90 POLB (0.54) TDP1POLBAPEX1HTTHDAC3
SCHEMBL29316017 0.90 POLB (0.54) TDP1POLBAPEX1HTTHDAC3
SCHEMBL21228923 0.90 ELANE (0.48) TDP1POLBAPEX1HTTHDAC3
SCHEMBL29316061 0.88 TDP1 (0.48) TDP1POLBAPEX1HTTHDAC3
SCHEMBL29322225 0.86 MMP2 (0.48) TDP1POLBAPEX1HTTHDAC1

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