SCHEMBL810093

SCHEMBL810093

C=Cc1ccccc1CC(C)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 1/20 0.31
ADRB2 P07550 3/20 0.31
ADRB1 P08588 3/20 0.31
LMNA P02545 3/20 0.31
HTR1A P08908 1/20 0.31
ADRB3 P13945 1/20 0.31
ADRA2C P18825 1/20 0.31
BDKRB2 P30411 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
KCNH2 Q12809 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL30641415 0.84 GABRA1 (0.47) ALDH1A1GABRA1GABRB2SLC6A2SLC6A4
SCHEMBL535990 0.84 GABRA1 (0.47) ALDH1A1GABRA1GABRB2SLC6A2SLC6A4
SCHEMBL6025866 0.82 ALDH1A1 (0.39) ALDH1A1GABRA1GABRB2SLC6A2SLC6A4
SCHEMBL810129 0.81 ALDH1A1 (0.39) ALDH1A1LMNA
SCHEMBL809443 0.81 SLC6A2 (0.40) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL3669290 0.81 ALDH1A1 (0.38) ALDH1A1GABRA1GABRB2SLC6A2SLC6A4
SCHEMBL6289164 0.81 ALDH1A1 (0.38) ALDH1A1GABRA1GABRB2SLC6A2SLC6A4
SCHEMBL28579563 0.81 SLC6A2 (0.45) ALDH1A1SLC6A2SLC6A4SLC6A3ADRB1
SCHEMBL5033204 0.79 ALDH1A1 (0.36) ALDH1A1GABRA1GABRB2SLC6A2SLC6A4
SCHEMBL673323 0.79 GABRA1 (0.41) GABRA1GABRB2SLC6A2SLC6A4SLC6A3

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