SCHEMBL809912

SCHEMBL809912

C=Cc1cc(CCCC)c(CCl)c2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
TLR8 Q9NR97 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
CYP2D6 P10635 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TYR P14679 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
IDO1 P14902 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 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
SCHEMBL809672 0.88 TLR8 (0.36) L3MBTL1TLR8THRATHRBCYP2D6
SCHEMBL809642 0.85 L3MBTL1 (0.38) L3MBTL1ALDH1A1
SCHEMBL809738 0.78 GAA (0.40) L3MBTL1TLR8THRBCYP2C9ALDH1A1
SCHEMBL810363 0.75 L3MBTL1 (0.40) L3MBTL1ALDH1A1CYP1A2
SCHEMBL11859363 0.75 CNR2 (0.39) TLR8THRATHRBCYP2D6CYP3A4
SCHEMBL810260 0.73 L3MBTL1 (0.41) L3MBTL1ALDH1A1
SCHEMBL809803 0.73 ALDH1A1 (0.44) L3MBTL1ALDH1A1CYP1A2
SCHEMBL809666 0.72 ALDH1A1 (0.38) L3MBTL1TLR8KDM4EALDH1A1HPGD
SCHEMBL810002 0.72 L3MBTL1 (0.39) L3MBTL1CYP2C9ALDH1A1CYP1A2
SCHEMBL11706822 0.72 CYP3A4 (0.36) TLR8THRATHRBCYP2D6CYP3A4

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