SCHEMBL809791

SCHEMBL809791

C=Cc1ccc(CCC(I)OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
STAT3 P40763 4/20 0.34
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MMP12 P39900 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
TRPA1 O75762 1/20 0.32
CYP24A1 Q07973 2/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL810464 0.79 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2HTTSTAT3TAS1R3
SCHEMBL809974 0.77 ALDH1A1 (0.42) ALDH1A1TAS1R3TAS1R1TP53TSHR
SCHEMBL5034577 0.76 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTTAS1R3TAS1R1
SCHEMBL2638242 0.74 ALDH1A1 (0.44) ALDH1A1TAS1R3TAS1R1CHRNB2CHRNB4
SCHEMBL28390815 0.73 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HTTTAS1R3TAS1R1
SCHEMBL13599149 0.72 MMP12 (0.51) ALDH1A1SMN1; SMN2STAT3TAS1R3TAS1R1
SCHEMBL1647493 0.72 ALDH1A1 (0.65) ALDH1A1TAS1R3TAS1R1CHRNB2CHRNB4
SCHEMBL50012 0.72 ALDH1A1 (0.65) ALDH1A1TAS1R3TAS1R1CHRNB2CHRNB4
SCHEMBL809721 0.72 ALDH1A1 (0.46) ALDH1A1TAS1R3TAS1R1TP53TSHR
SCHEMBL103324 0.72 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TAS1R3TAS1R1CYP4F2

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