SCHEMBL809843

SCHEMBL809843

C=Cc1ccc(OC(C)=O)c(CCl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
ALOX5 P09917 3/20 0.44
AKT1 P31749 1/20 0.44
PTGS1 P23219 1/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
TTR P02766 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL809846 0.88 TRPA1 (0.41) AKR1C3AKR1C2ALOX5AKT1PTGS1
SCHEMBL21180822 0.86 ALOX5 (0.43) AKR1C3AKR1C2ALOX5AKT1PTGS1
SCHEMBL22599667 0.85 AKR1C3 (0.48) AKR1C3AKR1C2ALOX5AKT1PTGS1
SCHEMBL28078757 0.84 AKR1C3 (0.47) AKR1C3AKR1C2ALOX5AKT1PTGS1
SCHEMBL3906645 0.84 AKR1C3 (0.53) AKR1C3AKR1C2ALOX5AKT1PTGS1
SCHEMBL31518926 0.80 JUN (0.55) ALOX5PTGS1RAB9AJUNNFKB1
SCHEMBL726364 0.80 JUN (0.55) ALOX5PTGS1RAB9AJUNNFKB1
SCHEMBL1088564 0.80 JUN (0.44) AKR1C3AKR1C2ALOX5PTGS1LMNA
SCHEMBL809422 0.79 TRPA1 (0.51) ALOX5LMNAMEN1MAPTKMT2A
SCHEMBL29030377 0.78 TRPA1 (0.50) AKR1C3AKR1C2ALOX5PTGS1LMNA

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