SCHEMBL13636409

SCHEMBL13636409

C=C(C)C(=O)OCCOCCOc1ccc(C(C)c2ccc(OCCOCCOC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
POLB P06746 1/20 0.52
APEX1 P27695 1/20 0.52
HTT P42858 1/20 0.52
THRB P10828 1/20 0.47
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMB5 P28074 1/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RARB P10826 1/20 0.38
ACACB O00763 2/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL4451622 0.96 TDP1 (0.56) TDP1POLBAPEX1HTTTHRB
SCHEMBL548112 0.87 POLB (0.56) TDP1POLBAPEX1HTTTHRB
SCHEMBL16620120 0.86 TDP1 (0.55) TDP1POLBAPEX1HTTTHRB
SCHEMBL15698361 0.85 TDP1 (0.57) TDP1POLBAPEX1HTTTHRB
SCHEMBL15385959 0.85 HTT (0.65) TDP1POLBAPEX1HTTTHRB
SCHEMBL454606 0.85 POLB (0.67) TDP1POLBAPEX1HTTTHRB
SCHEMBL13907647 0.84 TDP1 (0.44) TDP1POLBAPEX1HTTTHRB
SCHEMBL11997927 0.84 HTT (0.56) TDP1POLBAPEX1HTTTHRB
SCHEMBL22160227 0.84 HTT (0.56) TDP1POLBAPEX1HTTTHRB
SCHEMBL25784256 0.83 TDP1 (0.56) TDP1POLBAPEX1HTTTHRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2031000-B1 Preparation method for a thermosetting polymer / thermoplastic polymer alloy type transparent material and its application in optics for the production of organic glasses ESSILOR INT (FR) 2009-11-25 EP disclosed