SCHEMBL810095

SCHEMBL810095

CC(Cl)CC=Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.66
IDO1 P14902 2/20 0.44
PAM P19021 1/20 0.44
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 2/20 0.44
MAOB P27338 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL11059710 0.84 HTR2A (0.61) HTR2AIDO1PAMGRIK1GRIK2
SCHEMBL2170349 0.83 HTR2A (0.70) HTR2AIDO1PAMGRIK1GRIK2
SCHEMBL107851 0.83 HTR2A (0.70) HTR2AIDO1PAMGRIK1GRIK2
SCHEMBL14037582 0.83 HTR2A (0.70) HTR2AIDO1PAMGRIK1GRIK2
SCHEMBL107852 0.83 HTR2A (0.70) HTR2AIDO1PAMGRIK1GRIK2
SCHEMBL810131 0.80 HTR2A (0.56) HTR2AIDO1PAMGRIK1GRIK2
SCHEMBL809445 0.80 HTR2A (0.52) HTR2AIDO1PAMMAOBSIGMAR1
SCHEMBL19586585 0.79 HTR2A (1.00) HTR2AIDO1PAMGRIK1GRIK2
SCHEMBL19586755 0.79 HTR2A (1.00) HTR2AIDO1PAMGRIK1GRIK2
SCHEMBL5475689 0.79 HTR2A (0.66) HTR2AIDO1PAMGRIK1GRIK2

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