SCHEMBL29316047

SCHEMBL29316047

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
POLB P06746 1/20 0.51
APEX1 P27695 1/20 0.51
HTT P42858 1/20 0.51
ELANE P08246 1/20 0.47
TSHR P16473 2/20 0.42
HDAC1 Q13547 8/20 0.41
HDAC2 Q92769 8/20 0.41
HDAC3 O15379 7/20 0.41
HDAC4 P56524 7/20 0.41
HDAC7 Q8WUI4 7/20 0.41
HDAC10 Q969S8 7/20 0.41
HDAC11 Q96DB2 7/20 0.41
HDAC8 Q9BY41 7/20 0.41
HDAC6 Q9UBN7 7/20 0.41
HDAC9 Q9UKV0 7/20 0.41
HDAC5 Q9UQL6 7/20 0.41
LMNA P02545 3/20 0.40
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 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
SCHEMBL29316051 0.97 TDP1 (0.54) TDP1POLBAPEX1HTTELANE
SCHEMBL29316056 0.96 TDP1 (0.56) TDP1POLBAPEX1HTTELANE
SCHEMBL29316055 0.96 TDP1 (0.56) TDP1POLBAPEX1HTTELANE
SCHEMBL19393303 0.94 ELANE (0.49) TDP1POLBAPEX1HTTELANE
SCHEMBL29315994 0.87 POLB (0.66) TDP1POLBAPEX1HTTHDAC1
SCHEMBL3561624 0.86 ELANE (0.50) TDP1POLBAPEX1HTTELANE
SCHEMBL29316013 0.85 HTT (0.50) TDP1POLBAPEX1HTTELANE
SCHEMBL29316176 0.85 POLB (0.47) TDP1POLBAPEX1HTTTSHR
SCHEMBL29316000 0.85 POLB (0.70) TDP1POLBAPEX1HTTTSHR
SCHEMBL29315869 0.85 TDP1 (0.51) TDP1POLBAPEX1HTTELANE

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