SCHEMBL809983

SCHEMBL809983

CC(I)CCC=Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.52
SIGMAR1 Q99720 2/20 0.46
IDO1 P14902 2/20 0.41
PAM P19021 1/20 0.41
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AHR P35869 1/20 0.37
NPC1 O15118 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL453356 0.84 HTR2A (0.55) HTR2ASIGMAR1IDO1PAMMAOB
SCHEMBL106152 0.84 HTR2A (0.55) HTR2ASIGMAR1IDO1PAMMAOB
SCHEMBL810460 0.83 NFE2L2 (0.39) HTR2AKMT2ANPC1
SCHEMBL809518 0.81 KCNH2 (0.40) AHR
SCHEMBL809445 0.81 HTR2A (0.52) HTR2ASIGMAR1IDO1PAMMAOB
SCHEMBL6286607 0.79 HTR2A (0.50) HTR2ASIGMAR1IDO1PAMMEN1
SCHEMBL809376 0.79 LMNA (0.47) AHRNPC1
SCHEMBL2785609 0.77 HTR2A (0.52) HTR2ASIGMAR1IDO1PAMMAOB
SCHEMBL11700173 0.77 HTR2A (0.47) HTR2ASIGMAR1IDO1PAMMEN1
SCHEMBL11700166 0.77 HTR2A (0.47) HTR2ASIGMAR1IDO1PAMMEN1

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