SCHEMBL11228078

SCHEMBL11228078

C=C(C)C(=O)OCCCOC(=O)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
POLB P06746 2/20 0.54
APEX1 P27695 1/20 0.54
HTT P42858 1/20 0.54
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 5/20 0.42
HDAC6 Q9UBN7 1/20 0.41
ESR1 P03372 3/20 0.40
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP2D6 P10635 1/20 0.39
NR1H2 P55055 1/20 0.39
RNASEL Q05823 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARA Q07869 1/20 0.39
GPR35 Q9HC97 1/20 0.39
CDC25A P30304 1/20 0.39

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
SCHEMBL837846 0.94 POLB (0.50) TDP1POLBAPEX1HTTMEN1
SCHEMBL29657635 0.93 POLB (0.49) TDP1POLBAPEX1HTTMEN1
SCHEMBL12394952 0.91 POLB (0.47) TDP1POLBAPEX1HTTMEN1
SCHEMBL4066747 0.91 POLB (0.47) TDP1POLBAPEX1HTTMEN1
SCHEMBL12394951 0.91 POLB (0.47) TDP1POLBAPEX1HTTMEN1
SCHEMBL14262508 0.90 TDP1 (0.49) TDP1POLBAPEX1HTTMEN1
SCHEMBL14262501 0.90 POLB (0.49) TDP1POLBAPEX1HTTMEN1
SCHEMBL345789 0.89 TDP1 (0.61) TDP1POLBAPEX1HTTMEN1
SCHEMBL19320454 0.89 POLB (0.48) TDP1POLBAPEX1HTTMEN1
SCHEMBL5164883 0.86 POLB (0.44) TDP1POLBAPEX1HTTMEN1

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
JP-57038750-A None JP disclosed
JP-S5738750-A 2,3-BIS 3,4-DICARBOXYBENZOYLOXY PROPYL METHACRYLATE AND ITS PREPARATION KURARAY CO LTD 1982-03-03 JP disclosed