SCHEMBL809594

SCHEMBL809594

C=Cc1ccc(OC)cc1CCC(I)CC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
ADRA1A P35348 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ROCK2 O75116 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR2A P28223 1/20 0.33
TRIM24 O15164 1/20 0.33
TYR P14679 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AOC3 Q16853 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
SCHEMBL809375 0.86 HTR2A (0.38) CYP1A1CYP1A2CYP1B1ADRA1ATAAR1
SCHEMBL809639 0.81 L3MBTL1 (0.32) TAAR1L3MBTL1LMNAALDH1A1MAPK1
SCHEMBL809892 0.80 KDM4E (0.30)
SCHEMBL809944 0.80 HTR2A (0.38) CYP1A1CYP1A2CYP1B1ADRA1ATAAR1
SCHEMBL28118816 0.77 ALDH1A1 (0.46) CYP1A1CYP1A2CYP1B1ADRA1ATAAR1
SCHEMBL810465 0.77 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1ADRA1ATAAR1
SCHEMBL809792 0.77 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1ADRA1ATAAR1
SCHEMBL809392 0.72 ALDH1A1 (0.47) CYP1A1CYP1A2CYP1B1ADRA1ATAAR1
SCHEMBL16953704 0.68 ERN1 (0.39) CYP1A1CYP1A2CYP1B1ADRA1ATAAR1
SCHEMBL9065566 0.68 CYP1A2 (0.52) CYP1A1CYP1A2CYP1B1LMNAALDH1A1

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