SCHEMBL4451622

SCHEMBL4451622

C=C(C)C(=O)OCCOc1ccc(C(C)c2ccc(OCCOC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
POLB P06746 1/20 0.56
APEX1 P27695 1/20 0.56
HTT P42858 1/20 0.56
THRB P10828 1/20 0.44
PSMB1 P20618 1/20 0.42
PSMB5 P28074 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACACB O00763 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.40
ACACA Q13085 1/20 0.39
GAA P10253 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
SCHEMBL13636409 0.96 TDP1 (0.52) TDP1POLBAPEX1HTTTHRB
SCHEMBL548112 0.91 POLB (0.56) TDP1POLBAPEX1HTTTHRB
SCHEMBL16620120 0.90 TDP1 (0.55) TDP1POLBAPEX1HTTTHRB
SCHEMBL15698361 0.89 TDP1 (0.57) TDP1POLBAPEX1HTTTHRB
SCHEMBL454606 0.89 POLB (0.67) TDP1POLBAPEX1HTTTHRB
SCHEMBL25784256 0.87 TDP1 (0.56) TDP1POLBAPEX1HTTTHRB
SCHEMBL31040362 0.86 TDP1 (0.51) TDP1POLBAPEX1HTTTSHR
SCHEMBL381800 0.85 TDP1 (0.57) TDP1POLBAPEX1HTTTHRB
SCHEMBL14173271 0.84 POLB (0.61) TDP1POLBAPEX1HTTTHRB
SCHEMBL11053172 0.84 POLB (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7604755-B2 Electroconductive resin composition and separator for fuel cell JAPAN COMPOSITE CO., LTD. (JP) 2009-10-20 US disclosed
US-20060240303-A1 Conductive resin composition and fuel cell separators JAPAN COMPOSITE CO., LTD. (JP) 2006-10-26 US disclosed