SCHEMBL809375

SCHEMBL809375

C=Cc1ccc(OC)cc1CCC(C)I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
ADRA1A P35348 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
NQO2 P16083 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
TRIM24 O15164 1/20 0.34
TYR P14679 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL809594 0.86 CYP1A1 (0.35) HTR2ACYP1A1CYP1A2CYP1B1ADRA1A
SCHEMBL809944 0.85 HTR2A (0.38) HTR2ACYP1A1CYP1A2CYP1B1ADRA1A
SCHEMBL810459 0.80 TAAR1 (0.33) CYP1A2TAAR1MAPK1TDP1L3MBTL1
SCHEMBL809517 0.79 S1PR1 (0.31) SMN1; SMN2KDM4EMEN1LMNAKMT2A
SCHEMBL809792 0.79 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1ADRA1ATAAR1
SCHEMBL28118816 0.76 ALDH1A1 (0.46) CYP1A1CYP1A2CYP1B1ADRA1ATAAR1
SCHEMBL810465 0.76 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1ADRA1ATAAR1
SCHEMBL809392 0.74 ALDH1A1 (0.47) CYP1A1CYP1A2CYP1B1ADRA1ATAAR1
SCHEMBL809981 0.74 SLC6A2 (0.36) ALDH1A1
SCHEMBL29056122 0.71 MTNR1A (0.47) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1

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