SCHEMBL809665

SCHEMBL809665

C=Cc1cc(OC(C)=O)c(CCl)c2cc3ccccc3cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HTT P42858 3/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL810209 0.88 HTT (0.40) KMT2AMEN1LMNAMAPTKDM4E
SCHEMBL809812 0.83 NQO1 (0.45) MAPTKDM4EHPGDSMN1; SMN2L3MBTL1
SCHEMBL810262 0.81 L3MBTL1 (0.36) LMNAMAPTKDM4EHPGDNPSR1
SCHEMBL809845 0.78 L3MBTL1 (0.40) KMT2ATDP1L3MBTL1
SCHEMBL810002 0.76 L3MBTL1 (0.39) KMT2AMEN1MAPTNPSR1RAB9A
SCHEMBL809707 0.76 L3MBTL1 (0.41) MAPTRAB9AL3MBTL1ALDH1A1
SCHEMBL810046 0.74 MAPT (0.35) KMT2AMEN1LMNAMAPTKDM4E
SCHEMBL2516586 0.74 L3MBTL1 (0.42) KMT2AMEN1MAPTNPSR1RAB9A
SCHEMBL810000 0.74 L3MBTL1 (0.42) KMT2AMEN1MAPTNPSR1RAB9A
SCHEMBL809749 0.73 L3MBTL1 (0.41) L3MBTL1ALDH1A1

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