SCHEMBL20109779

SCHEMBL20109779

COc1cc(C)cc(-c2cc(C)cc(CO)c2OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.53
PDE4A P27815 4/20 0.43
PDE4B Q07343 4/20 0.43
PDE4C Q08493 4/20 0.43
PDE4D Q08499 4/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
MAPT P10636 2/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PDE5A O76074 3/20 0.38
PDE1A P54750 3/20 0.38
PDE1B Q01064 3/20 0.38
PDE3B Q13370 3/20 0.38
PDE1C Q14123 3/20 0.38
PDE3A Q14432 3/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GFER P55789 1/20 0.36

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
SCHEMBL10064029 0.89 ACHE (0.61) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL14462083 0.85 ACHE (0.44) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL17655758 0.83 ACHE (0.76) ACHEMAPTCYP3A4KMT2AMEN1
SCHEMBL3302064 0.81 MAPT (0.52) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL16091526 0.77 ACHE (0.59) ACHEMAPTCYP3A4KMT2AMEN1
SCHEMBL19034740 0.77 ACHE (0.59) ACHEMAPTCYP3A4KMT2AMEN1
SCHEMBL20362610 0.76 MAPT (0.47) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL10882757 0.76 MAPT (0.47) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL14462064 0.74 S1PR1 (0.36) ACHEPDE4APDE4BPDE4CPDE4D
SCHEMBL18124422 0.74 ACHE (0.43) ACHEPDE4APDE4BPDE4CPDE4D

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
US-20180118901-A1 METHOD OF PRODUCING CARBON FIBERS AND CARBON FIBER COMPOSITES FROM PLANT DERIVED LIGNIN AND ITS BLENDS UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2018-05-03 US disclosed