SCHEMBL809675

SCHEMBL809675

C=Cc1cccc(CCl)c1OC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
NFE2L2 Q16236 5/20 0.34
CYP1A2 P05177 4/20 0.33
CYP1A1 P04798 3/20 0.33
CYP1B1 Q16678 3/20 0.33
DRD2 P14416 1/20 0.32
CYP3A4 P08684 2/20 0.31
ALOX15 P16050 1/20 0.31
PRMT1 Q99873 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL14999526 0.84 CA1 (0.41) ALDH1A1MEN1GAAKMT2ACA1
SCHEMBL10586446 0.82 CA1 (0.56) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL6056491 0.82 ALDH1A1 (0.36) ALDH1A1MEN1GAAKMT2ACA1
SCHEMBL16953029 0.82 CA1 (0.40) ALDH1A1MEN1GAAKMT2ACA1
SCHEMBL23020587 0.82 CYP3A4 (0.44) ALDH1A1MEN1GAAKMT2ACYP3A4
SCHEMBL16958729 0.81 HMGCR (0.36) ALDH1A1MEN1GAAKMT2ACA1
SCHEMBL16951902 0.80 CA1 (0.45) ALDH1A1CA1CA2NFE2L2CYP1A2
SCHEMBL14999525 0.79 RIPK1 (0.37) ALDH1A1MEN1GAAKMT2ACA1
SCHEMBL809798 0.79 ACHE (0.38) ALDH1A1MEN1KMT2ACYP3A4KDM4E
SCHEMBL14999533 0.78 HTR1A (0.42) CA1CA2NFE2L2DRD2

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