SCHEMBL810276

SCHEMBL810276

CCC(I)CC=Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.56
CTSC P53634 1/20 0.43
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
IDO1 P14902 2/20 0.41
PAM P19021 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
SIGMAR1 Q99720 2/20 0.39

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
SCHEMBL6286622 0.80 HTR2A (0.60) HTR2ACTSCGRIK1GRIK2IDO1
SCHEMBL106773 0.78 HTR2A (0.63) HTR2ACTSCGRIK1GRIK2IDO1
SCHEMBL106772 0.78 HTR2A (0.63) HTR2ACTSCGRIK1GRIK2IDO1
SCHEMBL5771311 0.77 HTR2A (0.56) HTR2ACTSCGRIK1GRIK2IDO1
SCHEMBL5773300 0.77 HTR2A (0.56) HTR2ACTSCGRIK1GRIK2IDO1
SCHEMBL810131 0.77 HTR2A (0.56) HTR2ACTSCGRIK1GRIK2IDO1
SCHEMBL28419221 0.76 HTR2A (0.55) HTR2ACTSCGRIK1GRIK2IDO1
SCHEMBL14037582 0.75 HTR2A (0.70) HTR2AGRIK1GRIK2IDO1PAM
SCHEMBL28692144 0.75 HTR2A (0.59) HTR2AGRIK1GRIK2IDO1PAM
SCHEMBL107851 0.75 HTR2A (0.70) HTR2AGRIK1GRIK2IDO1PAM

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