SCHEMBL810459

SCHEMBL810459

C=Cc1ccc(C)cc1CCC(C)I

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.33
SRC P12931 1/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL809639 0.84 L3MBTL1 (0.32) TAAR1MAPK1L3MBTL1
SCHEMBL810449 0.84 SRC (0.34) TAAR1SRCTP53TDP1CYP1A2
SCHEMBL809517 0.83 S1PR1 (0.31) TDP1
SCHEMBL809375 0.80 HTR2A (0.38) TAAR1TP53TDP1CYP1A2MAPK1
SCHEMBL809981 0.78 SLC6A2 (0.36)
SCHEMBL3629044 0.78 TAAR1 (0.37) TAAR1SRCTP53TDP1
SCHEMBL809923 0.77 TAAR1 (0.34) TAAR1SRCTP53TDP1
SCHEMBL11027744 0.76 ALDH1A1 (0.35) TAAR1SRCTP53TDP1CYP1A2
SCHEMBL10751686 0.75 TP53 (0.36) TAAR1SRCTP53TDP1CYP1A2
SCHEMBL3626784 0.75 TLR7 (0.40) TAAR1SRCTP53TDP1MAPK1

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