SCHEMBL4445618

SCHEMBL4445618

C=C(C)C(=O)OCCOc1ccc(C(C)(C)c2ccc(OCCOC(=O)C(=C)C)c(CC)c2)cc1CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPARG P37231 3/20 0.37
PPARD Q03181 3/20 0.37
PPARA Q07869 3/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPK1 P28482 2/20 0.34
KLF10 Q13118 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.33
VDR P11473 1/20 0.33

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
SCHEMBL10874094 0.90 ELANE (0.39) THRBPOLBAPEX1HTTTDP1
SCHEMBL10873128 0.88 ALDH1A1 (0.47) THRBSMN1; SMN2MAPTNPSR1MAPK1
SCHEMBL14173156 0.87 VDR (0.43) THRBPOLBAPEX1HTTTDP1
SCHEMBL8957635 0.85 CYP2C19 (0.48) THRBPOLBAPEX1HTTTDP1
SCHEMBL8957628 0.85 ALDH1A1 (0.41) THRBPOLBAPEX1HTTTDP1
SCHEMBL14173149 0.84 KLF10 (0.39) KLF10KMT2AL3MBTL1VDRMTNR1A
SCHEMBL15500144 0.82 VDR (0.40) THRBPOLBAPEX1HTTTDP1
SCHEMBL11015727 0.81 POLB (0.36) THRBPOLBAPEX1HTTTDP1
SCHEMBL11015742 0.81 POLB (0.36) THRBPOLBAPEX1HTTTDP1
SCHEMBL1232016 0.81 PTGDR2 (0.47) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A

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