SCHEMBL29316014

SCHEMBL29316014

C=C(C)C(=O)OCCCCCC(=O)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
APEX1 P27695 1/20 0.54
HTT P42858 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HDAC3 O15379 10/20 0.50
HDAC4 P56524 10/20 0.50
HDAC1 Q13547 10/20 0.50
HDAC7 Q8WUI4 10/20 0.50
HDAC2 Q92769 10/20 0.50
HDAC10 Q969S8 10/20 0.50
HDAC11 Q96DB2 10/20 0.50
HDAC8 Q9BY41 10/20 0.50
HDAC6 Q9UBN7 10/20 0.50
HDAC9 Q9UKV0 10/20 0.50
HDAC5 Q9UQL6 10/20 0.50
TSHR P16473 2/20 0.46
ELANE P08246 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43

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
SCHEMBL29316017 1.00 POLB (0.54) POLBAPEX1HTTTDP1HDAC3
SCHEMBL29316011 0.99 POLB (0.52) POLBAPEX1HTTTDP1HDAC3
SCHEMBL29316013 0.95 HTT (0.50) POLBAPEX1HTTTDP1HDAC3
SCHEMBL29316071 0.94 POLB (0.50) POLBAPEX1HTTTDP1HDAC3
SCHEMBL29316064 0.93 POLB (0.48) POLBAPEX1HTTTDP1HDAC3
SCHEMBL29316068 0.90 TDP1 (0.48) POLBAPEX1HTTTDP1HDAC3
SCHEMBL21228923 0.90 ELANE (0.48) POLBAPEX1HTTTDP1HDAC3
SCHEMBL29316059 0.87 TDP1 (0.47) POLBAPEX1HTTTDP1HDAC3
SCHEMBL29316056 0.87 TDP1 (0.56) POLBAPEX1HTTTDP1HDAC3
SCHEMBL29316055 0.87 TDP1 (0.56) POLBAPEX1HTTTDP1HDAC3

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