SCHEMBL809639

SCHEMBL809639

C=Cc1ccc(C)cc1CCC(I)CC

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.32
MAPK1 P28482 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
PDE5A O76074 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL810459 0.84 TAAR1 (0.33) L3MBTL1MAPK1TAAR1
SCHEMBL809892 0.84 KDM4E (0.30)
SCHEMBL809594 0.81 CYP1A1 (0.35) L3MBTL1MAPK1TAAR1ALDH1A1LMNA
SCHEMBL3629044 0.79 TAAR1 (0.37) TAAR1PDE5AALDH1A1
SCHEMBL810449 0.78 SRC (0.34) L3MBTL1MAPK1TAAR1ALDH1A1
SCHEMBL3626784 0.76 TLR7 (0.40) MAPK1TAAR1PDE5AALDH1A1SMN1; SMN2
SCHEMBL3025738 0.75 TP53 (0.38) L3MBTL1MAPK1TAAR1PDE5AALDH1A1
SCHEMBL809697 0.74 MAPT (0.39) L3MBTL1MAPK1TAAR1ALDH1A1
SCHEMBL809923 0.74 TAAR1 (0.34) TAAR1
SCHEMBL25996085 0.71 TAAR1 (0.37) MAPK1TAAR1ALDH1A1

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