SCHEMBL809883

SCHEMBL809883

C=Cc1ccc(C(C)Cl)cc1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
ALOX5 P09917 2/20 0.35
KDM4E B2RXH2 4/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.34

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
SCHEMBL809940 0.86 PTGS1 (0.41) PTGS1ALOX5KDM4ELMNAMAPT
SCHEMBL809960 0.85 PTGS1 (0.40) PTGS1ALOX5KDM4ELMNAMAPT
SCHEMBL3681025 0.80 KMT2A (0.47) PTGS1ALOX5KDM4ELMNAMAPT
SCHEMBL27439820 0.77 PTGS1 (0.49) PTGS1ALOX5LMNANFKB1TSHR
SCHEMBL30785274 0.76 KDM4E (0.56) PTGS1ALOX5KDM4ELMNAMAPT
SCHEMBL3627110 0.76 KDM4E (0.56) PTGS1ALOX5KDM4ELMNAMAPT
SCHEMBL809745 0.76 PTGS1 (0.51) PTGS1ALOX5KDM4ELMNAMAPT
SCHEMBL19286377 0.75 TYR (0.41) ALDH1A1
SCHEMBL809884 0.73 AKT1 (0.56) PTGS1ALOX5KDM4ELMNAMAPT
SCHEMBL810128 0.73 PTGS1 (0.51) PTGS1ALOX5KDM4ELMNAMAPT

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