SCHEMBL810201

SCHEMBL810201

C=Cc1ccc(CCl)c2cc(OC)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.43
ALDH1A1 P00352 4/20 0.42
GFER P55789 2/20 0.42
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
HTR2C P28335 2/20 0.36
GPR84 Q9NQS5 1/20 0.36
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A2 P23975 1/20 0.35
HRH2 P25021 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR1E P28566 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL809371 0.83 LMNA (0.40) ALDH1A1HTR1DKDM4EKMT2AMEN1
SCHEMBL809392 0.82 ALDH1A1 (0.47) DYRK1AALDH1A1GFERCYP1A1CYP1A2
SCHEMBL809732 0.80 KMT2A (0.38) ALDH1A1HTR2CHTR1AADRA2AADRA2B
SCHEMBL808751 0.78 ALDH1A1 (0.33) ALDH1A1CYP1A2HTR2CGPR84HTR1A
SCHEMBL19595036 0.74 CYP1A2 (0.50) ALDH1A1CYP1A1CYP1A2CYP1B1TSHR
SCHEMBL30567454 0.74 CYP1A2 (0.52) ALDH1A1GFERCYP1A1CYP1A2CYP1B1
SCHEMBL9065566 0.74 CYP1A2 (0.52) ALDH1A1GFERCYP1A1CYP1A2CYP1B1
SCHEMBL9049792 0.73 ALDH1A1 (0.39) ALDH1A1TSHRKMT2A
SCHEMBL809953 0.72 KDM4E (0.38) ALDH1A1CYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL3003009 0.72 MTNR1A (0.58) DYRK1AALDH1A1GFERCYP1A2HTR1A

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