SCHEMBL810465

SCHEMBL810465

C=Cc1ccc(OC)cc1CCCCl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
ADRA1A P35348 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GFER P55789 1/20 0.37
ESR1 P03372 1/20 0.37
CYP19A1 P11511 1/20 0.37
ESR2 Q92731 1/20 0.37
MTNR1A P48039 5/20 0.37
MTNR1B P49286 5/20 0.37
TRIM24 O15164 1/20 0.36
TYR P14679 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 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
SCHEMBL809792 0.84 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1ADRA1ATAAR1
SCHEMBL809392 0.83 ALDH1A1 (0.47) CYP1A1CYP1A2CYP1B1ADRA1ATAAR1
SCHEMBL809944 0.79 HTR2A (0.38) CYP1A1CYP1A2CYP1B1ADRA1ATAAR1
SCHEMBL809697 0.79 MAPT (0.39) TAAR1ALDH1A1TP53
SCHEMBL28118816 0.78 ALDH1A1 (0.46) CYP1A1CYP1A2CYP1B1ADRA1ATAAR1
SCHEMBL809722 0.77 PTGDR (0.35) ADRA1AALDH1A1CYP3A4ALOX15TSHR
SCHEMBL19295490 0.77 SLC6A4 (0.43) ADRA1ATAAR1ALDH1A1GFERESR1
SCHEMBL809594 0.77 CYP1A1 (0.35) CYP1A1CYP1A2CYP1B1ADRA1ATAAR1
SCHEMBL809375 0.76 HTR2A (0.38) CYP1A1CYP1A2CYP1B1ADRA1ATAAR1
SCHEMBL14761149 0.73 ALDH1A1 (0.44) CYP1A2TAAR1ALDH1A1CYP19A1CYP3A4

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