SCHEMBL29315869

SCHEMBL29315869

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

nearest known ligand 0.51

Predicted protein targets (top 18)

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
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ELANE P08246 2/20 0.40
THRB P10828 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL29315866 0.97 POLB (0.55) TDP1POLBAPEX1HTTLMNA
SCHEMBL29315878 0.96 POLB (0.57) TDP1POLBAPEX1HTTLMNA
SCHEMBL29315876 0.96 POLB (0.57) TDP1POLBAPEX1HTTLMNA
SCHEMBL29315871 0.94 CA1 (0.49) TDP1POLBAPEX1HTTLMNA
SCHEMBL12404381 0.90 THRB (0.49) TDP1POLBAPEX1HTTLMNA
SCHEMBL12404362 0.90 THRB (0.49) TDP1POLBAPEX1HTTLMNA
SCHEMBL4191440 0.86 HTT (0.67) TDP1POLBAPEX1HTTTSHR
SCHEMBL12895973 0.85 POLB (0.55) TDP1POLBAPEX1HTTLMNA
SCHEMBL13695301 0.85 POLB (0.55) TDP1POLBAPEX1HTTLMNA
SCHEMBL29316047 0.85 TDP1 (0.51) TDP1POLBAPEX1HTTLMNA

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