SCHEMBL809697

SCHEMBL809697

C=Cc1ccc(C)cc1CCCCl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
ALDH1A1 P00352 5/20 0.39
POLB P06746 3/20 0.39
THRB P10828 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
GPR55 Q9Y2T6 2/20 0.37
TAAR1 Q96RJ0 1/20 0.34
KMT2A Q03164 3/20 0.33
SRC P12931 1/20 0.33
TP53 P04637 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL3626784 0.84 TLR7 (0.40) MAPTALDH1A1POLBTHRBNPSR1
SCHEMBL809923 0.83 TAAR1 (0.34) MAPTPOLBTAAR1KMT2ASRC
SCHEMBL810252 0.82 NPSR1 (0.43) MAPTALDH1A1POLBTHRBNPSR1
SCHEMBL809722 0.81 PTGDR (0.35) MAPTALDH1A1GAAKMT2ATDP1
SCHEMBL3629044 0.80 TAAR1 (0.37) MAPTALDH1A1POLBTHRBNPSR1
SCHEMBL25989384 0.80 L3MBTL4 (0.38) ALDH1A1TAAR1KMT2ASRCTP53
SCHEMBL810465 0.79 CYP1A1 (0.39) ALDH1A1TAAR1TP53
SCHEMBL810449 0.77 SRC (0.34) MAPTALDH1A1THRBGPR55TAAR1
SCHEMBL25996085 0.76 TAAR1 (0.37) MAPTALDH1A1TAAR1KMT2ASRC
SCHEMBL3025738 0.76 TP53 (0.38) MAPTALDH1A1POLBTAAR1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012015977-A3 HIGHLY PORTABLE AND STABLE WORK STATION HERSCHLER MATTHEW B (US) 2012-05-10 WO disclosed
EP-2192645-B1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORP (JP) 2011-11-30 EP disclosed
US-20110250525-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORPORATION (JP) 2011-10-13 US disclosed
EP-2192645-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME Tokuyama Corporation (JP) 2010-06-02 EP disclosed