SCHEMBL29316020

SCHEMBL29316020

C=C(C)C(=O)OCCCOC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53
HTT P42858 1/20 0.53
KDM4E B2RXH2 1/20 0.50
LMNA P02545 3/20 0.47
SLC1A5 Q15758 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
CNR2 P34972 1/20 0.45
MAPT P10636 1/20 0.45
NPC1 O15118 1/20 0.44
TSHR P16473 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
ESR1 P03372 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
NR1H2 P55055 1/20 0.44

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
SCHEMBL29316022 0.97 TDP1 (0.58) TDP1POLBAPEX1HTTKDM4E
SCHEMBL29316026 0.96 TDP1 (0.59) TDP1POLBAPEX1HTTKDM4E
SCHEMBL29316023 0.96 TDP1 (0.59) TDP1POLBAPEX1HTTKDM4E
SCHEMBL116940 0.94 KDM4E (0.53) TDP1POLBAPEX1HTTKDM4E
SCHEMBL435195 0.91 TDP1 (0.66) TDP1POLBAPEX1HTTLMNA
SCHEMBL10790604 0.90 TDP1 (0.69) TDP1POLBAPEX1HTTLMNA
SCHEMBL7102222 0.89 TDP1 (0.59) TDP1POLBAPEX1HTTLMNA
SCHEMBL433570 0.88 TDP1 (0.71) TDP1POLBAPEX1HTTLMNA
SCHEMBL16351931 0.88 TDP1 (0.50) TDP1POLBAPEX1HTTKDM4E
SCHEMBL16351937 0.88 TDP1 (0.50) TDP1POLBAPEX1HTTKDM4E

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