SCHEMBL810503

SCHEMBL810503

C=Cc1ccc(CCCCC)c(CCl)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
THRB P10828 6/20 0.35
THRA P10827 5/20 0.35
LIPG Q9Y5X9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TLR8 Q9NR97 1/20 0.32
CTRC Q99895 1/20 0.32
KCNH2 Q12809 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
SCHEMBL809808 0.98 TYR (0.41) TYRMEN1KMT2ATSHRTP53
SCHEMBL808970 0.98 TYR (0.41) TYRMEN1KMT2ATSHRTP53
SCHEMBL809759 0.95 TYR (0.39) TYRMEN1KMT2ATSHRTP53
SCHEMBL12802596 0.90 TYR (0.43) TYRMEN1KMT2ATSHRTP53
SCHEMBL810179 0.88 ALDH1A1 (0.34) TP53TDP1ALDH1A1
SCHEMBL12802075 0.88 TYR (0.46) TYRMEN1KMT2ATSHRTP53
Dimethylamine SCHEMBL17128681 0.88 MEN1 (0.39) TYRMEN1KMT2ATSHRTP53
SCHEMBL12802008 0.84 TYR (0.43) TYRMEN1KMT2ATSHRTP53
SCHEMBL810422 0.81 TDP1 (0.39) TP53MAPTTDP1ALDH1A1
SCHEMBL11073040 0.80 ALDH1A1 (0.43) TSHRTP53MAPTTDP1ALDH1A1

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