SCHEMBL810068

SCHEMBL810068

C=Cc1cc(CCl)ccc1OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.50
CFD P00746 2/20 0.44
ALOX5 P09917 2/20 0.44
AKT1 P31749 1/20 0.44
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
SRD5A1 P18405 1/20 0.36
GSTP1 P09211 1/20 0.36
NR3C1 P04150 1/20 0.36
PTPN1 P18031 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL809745 0.89 PTGS1 (0.51) PTGS1CFDALOX5AKT1CYP4F2
SCHEMBL11862228 0.80 PTGS1 (0.54) PTGS1CFDAKT1CYP4F2CYP4A11
SCHEMBL810222 0.79 TTR (0.49) PTGS1ALOX5LMNAHTTKDM4E
SCHEMBL809884 0.78 AKT1 (0.56) PTGS1CFDALOX5AKT1CYP4F2
SCHEMBL10795938 0.78 CFD (0.49) PTGS1CFDAKT1CYP4F2CYP4A11
SCHEMBL8613589 0.77 PTGS2 (0.41) PTGS1ALOX5RAB9ANPC1LMNA
SCHEMBL8779397 0.76 PTGS1 (0.66) PTGS1CFDAKT1CYP4F2CYP4A11
SCHEMBL11849190 0.76 CYP4F2 (0.55) PTGS1CFDAKT1CYP4F2CYP4A11
SCHEMBL809941 0.75 AKT1 (0.47) PTGS1CFDALOX5AKT1CYP4F2
SCHEMBL809734 0.75 PTGS1 (0.41) PTGS1CFDALOX5AKT1CYP4F2

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