SCHEMBL810057

SCHEMBL810057

C=Cc1ccc2c(C)c(CCl)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
HTR2C P28335 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
PON1 P27169 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TRPA1 O75762 1/20 0.30

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
SCHEMBL809844 0.89 HTR2C (0.33) TP53TDP1HTR2C
SCHEMBL810580 0.82 ALDH1A1 (0.32) ESR1ESR2HTR2CALDH1A1
SCHEMBL808886 0.80 HTR2C (0.38) ESR1ESR2HTR2CALDH1A1TRPA1
SCHEMBL29467225 0.75 TP53 (0.41) TP53TDP1SLC6A2SLC6A4PON1
SCHEMBL809833 0.75 TP53 (0.41) TP53TDP1SLC6A2SLC6A4PON1
SCHEMBL809503 0.75 HTR2C (0.31) HTR2C
SCHEMBL809905 0.75 HTR2C (0.39) TP53HTR2CKMT2ATRPA1
SCHEMBL21153834 0.74 ALDH1A1 (0.50) TP53TDP1ESR1ESR2HTR2C
SCHEMBL809820 0.74 HTR2C (0.38) HTR2CALDH1A1TRPA1
SCHEMBL11073040 0.73 ALDH1A1 (0.43) TP53TDP1SLC6A2SLC6A4ALDH1A1

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