SCHEMBL809734

SCHEMBL809734

C=Cc1cc(OC(C)=O)c2cc(CCl)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
HTR2C P28335 1/20 0.39
ALOX5 P09917 2/20 0.37
AKT1 P31749 1/20 0.36
CFD P00746 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
SRD5A1 P18405 1/20 0.35
JUN P05412 1/20 0.34
NFKB1 P19838 1/20 0.34
NPC1 O15118 2/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
GSTP1 P09211 1/20 0.33

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
SCHEMBL810019 0.90 PTGS1 (0.38) PTGS1HTR2CALOX5AKT1CFD
SCHEMBL809745 0.76 PTGS1 (0.51) PTGS1ALOX5AKT1CFDCYP4F2
SCHEMBL810068 0.75 PTGS1 (0.50) PTGS1ALOX5AKT1CFDCYP4F2
SCHEMBL810293 0.73 TTR (0.39) PTGS1HTR2CALOX5KMT2AHTT
SCHEMBL809846 0.72 TRPA1 (0.41) PTGS1ALOX5AKT1JUNNFKB1
SCHEMBL809905 0.72 HTR2C (0.39) PTGS1HTR2CSRD5A1NPC1KMT2A
SCHEMBL11862228 0.71 PTGS1 (0.54) PTGS1AKT1CFDCYP4F2CYP4A11
SCHEMBL28188938 0.71 LMNA (0.47) PTGS1NPC1KMT2AHTTLMNA
SCHEMBL809843 0.70 AKR1C3 (0.48) PTGS1ALOX5AKT1CFDJUN
SCHEMBL810545 0.69 HTR2C (0.39) HTR2CNPC1KMT2AHTTCA12

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