SCHEMBL809392

SCHEMBL809392

C=Cc1ccc(OC)cc1CCl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
GFER P55789 1/20 0.47
CYP1A1 P04798 7/20 0.43
CYP1A2 P05177 7/20 0.43
CYP1B1 Q16678 7/20 0.43
DYRK1A Q13627 1/20 0.42
TRIM24 O15164 1/20 0.40
TYR P14679 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
NFE2L2 Q16236 2/20 0.39
IDO1 P14902 2/20 0.39
ADRA1A P35348 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL28118816 0.84 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1A2CYP1B1TRIM24
SCHEMBL810465 0.83 CYP1A1 (0.39) ALDH1A1GFERCYP1A1CYP1A2CYP1B1
SCHEMBL810201 0.82 DYRK1A (0.43) ALDH1A1GFERCYP1A1CYP1A2CYP1B1
SCHEMBL11766619 0.82 ALDH1A1 (0.58) ALDH1A1GFERCYP1A1CYP1A2CYP1B1
SCHEMBL810205 0.80 LMNA (0.44) ALDH1A1SMN1; SMN2CYP3A4TP53ALOX12
SCHEMBL809944 0.78 HTR2A (0.38) ALDH1A1CYP1A1CYP1A2CYP1B1TRIM24
SCHEMBL809792 0.77 CYP1A1 (0.39) ALDH1A1CYP1A1CYP1A2CYP1B1TRIM24
SCHEMBL9676713 0.77 ALDH1A1 (0.51) ALDH1A1GFERCYP1A2DYRK1AIDO1
SCHEMBL30567454 0.77 CYP1A2 (0.52) ALDH1A1GFERCYP1A1CYP1A2CYP1B1
SCHEMBL9065566 0.77 CYP1A2 (0.52) ALDH1A1GFERCYP1A1CYP1A2CYP1B1

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