SCHEMBL809738

SCHEMBL809738

C=Cc1cc(OCCCC)c(CCl)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC2A1 P11166 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 2/20 0.36
S1PR5 Q9H228 2/20 0.36
TLR8 Q9NR97 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR1B P28222 2/20 0.35
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 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
SCHEMBL809845 0.88 L3MBTL1 (0.40) GAATDP1L3MBTL1SLC2A1CYP1A2
SCHEMBL809666 0.87 ALDH1A1 (0.38) GAAL3MBTL1SLC2A1TLR8SMN1; SMN2
SCHEMBL809871 0.81 L3MBTL1 (0.37) GAAL3MBTL1ALDH1A1MAPT
SCHEMBL809912 0.78 L3MBTL1 (0.34) L3MBTL1SLC2A1CYP1A2CYP2C9TLR8
SCHEMBL810209 0.76 HTT (0.40) GAATDP1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL810262 0.76 L3MBTL1 (0.36) GAAL3MBTL1SLC2A1TLR8SMN1; SMN2
SCHEMBL406835 0.74 CYP1A2 (0.56) GAATDP1L3MBTL1CYP1A2CYP2C9
SCHEMBL27831058 0.74 CYP1A2 (0.41) GAATDP1L3MBTL1CYP1A2CYP2C9
SCHEMBL809642 0.74 L3MBTL1 (0.38) L3MBTL1ALDH1A1
SCHEMBL810363 0.73 L3MBTL1 (0.40) L3MBTL1CYP1A2ALDH1A1

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