SCHEMBL809922

SCHEMBL809922

C=C(CCCI)c1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 4/20 0.37
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.37
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
GSK3B P49841 1/20 0.35
PKM P14618 2/20 0.33
HTT P42858 2/20 0.33
ATM Q13315 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 1/20 0.33
NLRP1 Q9C000 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NTSR1 P30989 1/20 0.33
SRD5A2 P31213 1/20 0.32

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
SCHEMBL8730860 0.87 TDP1 (0.46) KMT2ATDP1ALDH1A1LMNACES2
SCHEMBL7193415 0.82 ALDH1A1 (0.44) KMT2ATDP1ALDH1A1LMNACES2
SCHEMBL28972199 0.82 KMT2A (0.38) KMT2ATDP1ALDH1A1LMNACES2
SCHEMBL809973 0.80 MAOA (0.48) ALDH1A1LMNACES2CES1GSK3B
SCHEMBL809696 0.80 KMT2A (0.37) KMT2ATDP1ALDH1A1LMNACES2
SCHEMBL19042193 0.80 L3MBTL1 (0.46) KMT2ATDP1ALDH1A1LMNACES2
SCHEMBL809790 0.79 MAPT (0.44) ALDH1A1LMNACES2CES1SMN1; SMN2
SCHEMBL2064826 0.79 MAOA (0.45) TDP1ALDH1A1LMNAHTTNPSR1
SCHEMBL13971288 0.79 ALDH1A1 (0.42) KMT2ATDP1ALDH1A1LMNACES2
SCHEMBL2010661 0.78 L3MBTL1 (0.49) TDP1ALDH1A1LMNACES2CES1

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