SCHEMBL808751

SCHEMBL808751

C=Cc1ccc(CCl)c2cc(Cl)ccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
PARP1 P09874 1/20 0.33
IDO1 P14902 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1D P25100 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR1E P28566 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR7 P34969 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL809732 0.81 KMT2A (0.38) ALDH1A1PARP1TDP1HTR1AADRA2A
SCHEMBL810176 0.80 HPGD (0.38) ALDH1A1HPGDIDO1TDP1CYP1A2
SCHEMBL9049792 0.78 ALDH1A1 (0.39) ALDH1A1
SCHEMBL810201 0.78 DYRK1A (0.43) ALDH1A1HTR1AADRA2AADRA2BADRA2C
SCHEMBL809371 0.73 LMNA (0.40) ALDH1A1HTR1DCYP3A4
SCHEMBL28422184 0.72 TDP1 (0.44) ALDH1A1HPGDPARP1TDP1NR4A2
SCHEMBL809771 0.72 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP2A6
SCHEMBL810223 0.68 L3MBTL1 (0.30)
SCHEMBL5885199 0.67 L3MBTL1 (0.35) ALDH1A1
SCHEMBL16955178 0.67 ERN1 (0.38) ALDH1A1HPGDIDO1TDP1HTR2A

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