SCHEMBL809741

SCHEMBL809741

C=Cc1ccc(OCCC)c(CCl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
GPR55 Q9Y2T6 1/20 0.47
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CSNK2A1 P68400 2/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
GABRA1 P14867 2/20 0.37

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
SCHEMBL810134 0.92 CNR2 (0.44) MAPTALDH1A1POLBGPR55GAA
SCHEMBL810246 0.87 ALDH1A1 (0.44) MAPTALDH1A1POLBKDM4EL3MBTL1
SCHEMBL16958053 0.81 CSNK2A1 (0.55) MAPTALDH1A1POLBGPR55KDM4E
SCHEMBL809422 0.80 TRPA1 (0.51) MAPTALDH1A1POLBNPSR1MEN1
SCHEMBL16959935 0.79 PTGS1 (0.45) MAPTALDH1A1POLBGPR55KDM4E
SCHEMBL16955795 0.78 KDM4E (0.61) MAPTALDH1A1POLBKDM4EGAA
SCHEMBL16961477 0.78 TUBB1 (0.41) MAPTALDH1A1POLBGPR55KDM4E
SCHEMBL16951793 0.78 HPGD (0.44) MAPTALDH1A1POLBKDM4EGAA
SCHEMBL16962089 0.78 KMT2A (0.49) MAPTALDH1A1POLBKDM4EGAA
SCHEMBL9163231 0.77 FDPS (0.50) MAPTALDH1A1GAAL3MBTL1THRB

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