SCHEMBL9319191

SCHEMBL9319191

C=CCc1cc(O)c(O)c(CC=C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.56
PARP1 P09874 1/20 0.56
XDH P47989 1/20 0.53
TNKS2 Q9H2K2 1/20 0.51
GABRA1 P14867 6/20 0.47
GABRB2 P47870 6/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
AKR1B1 P15121 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH2 P05091 1/20 0.47
HPGD P15428 1/20 0.47
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL2461750 0.89 XDH (0.48) TNKSPARP1XDHTNKS2GABRA1
SCHEMBL2493537 0.87 TNKS (0.63) TNKSPARP1XDHTNKS2GABRA1
SCHEMBL11660795 0.83 DHFR (0.46) TNKSPARP1XDHTNKS2GABRA1
SCHEMBL10041816 0.82 XDH (0.44) TNKSPARP1XDHTNKS2GABRA1
SCHEMBL31518933 0.82 TNKS (0.51) TNKSPARP1XDHTNKS2GABRA1
SCHEMBL11261537 0.82 XDH (0.42) TNKSPARP1XDHTNKS2GABRA1
SCHEMBL9285299 0.82 XDH (0.42) TNKSPARP1XDHTNKS2GABRA1
SCHEMBL4961750 0.82 XDH (0.52) TNKSPARP1XDHTNKS2GABRA1
SCHEMBL8118653 0.81 TNKS (0.79) TNKSPARP1XDHTNKS2GABRA1
SCHEMBL9703377 0.80 XDH (0.41) TNKSPARP1XDHTNKS2GABRA1

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-5286772-A Synergistic compositions for the prevention of polymer degradation THE UNIVERSITY OF UTAH (US) 1994-02-15 US disclosed