SCHEMBL809845

SCHEMBL809845

C=Cc1cc(OCCCC)c(CCl)c2cc3ccccc3cc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TLR8 Q9NR97 3/20 0.39
KCNH2 Q12809 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR1B P28222 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
LTA4H P09960 1/20 0.34
HTR1D P28221 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MCHR1 Q99705 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC2A1 P11166 1/20 0.33

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
SCHEMBL810262 0.88 L3MBTL1 (0.36) L3MBTL1GAATLR8SLC2A1
SCHEMBL809738 0.88 GAA (0.40) L3MBTL1GAATDP1TLR8KCNH2
SCHEMBL809812 0.83 NQO1 (0.45) L3MBTL1CYP1A2
SCHEMBL809672 0.80 TLR8 (0.36) L3MBTL1TLR8CYP2C9
SCHEMBL809665 0.78 KMT2A (0.36) L3MBTL1TDP1KMT2A
SCHEMBL809666 0.76 ALDH1A1 (0.38) L3MBTL1GAATLR8SLC2A1
SCHEMBL810002 0.76 L3MBTL1 (0.39) L3MBTL1CYP1A2CYP2C9KMT2A
SCHEMBL809707 0.76 L3MBTL1 (0.41) L3MBTL1CYP1A2
SCHEMBL2516586 0.74 L3MBTL1 (0.42) L3MBTL1CYP1A2CYP2C9KMT2A
SCHEMBL810000 0.74 L3MBTL1 (0.42) L3MBTL1CYP1A2CYP2C9KMT2A

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