SCHEMBL809884

SCHEMBL809884

C=Cc1ccc(CCCl)cc1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.56
PTGS1 P23219 1/20 0.49
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
ALOX5 P09917 2/20 0.40
CFD P00746 1/20 0.40
LMNA P02545 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HTT P42858 2/20 0.39
PKM P14618 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
LTA4H P09960 2/20 0.39
PTGS2 P35354 2/20 0.38
CCR5 P51681 4/20 0.37
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL809941 0.92 AKT1 (0.47) AKT1PTGS1CYP4F2CYP4A11ALOX5
SCHEMBL809745 0.88 PTGS1 (0.51) AKT1PTGS1CYP4F2CYP4A11ALOX5
SCHEMBL809961 0.85 PTGS1 (0.49) AKT1PTGS1CYP4F2CYP4A11ALOX5
SCHEMBL30846847 0.83 AKT1 (0.67) AKT1PTGS1CYP4F2CYP4A11CFD
SCHEMBL810049 0.82 PTGS1 (0.51) AKT1PTGS1CYP4F2CYP4A11ALOX5
SCHEMBL810128 0.82 PTGS1 (0.51) AKT1PTGS1CYP4F2CYP4A11ALOX5
SCHEMBL3681025 0.80 KMT2A (0.47) PTGS1CYP4F2CYP4A11ALOX5CFD
SCHEMBL27439820 0.79 PTGS1 (0.49) PTGS1CYP4F2CYP4A11ALOX5CFD
SCHEMBL810068 0.78 PTGS1 (0.50) AKT1PTGS1CYP4F2CYP4A11ALOX5
SCHEMBL3627110 0.76 KDM4E (0.56) PTGS1ALOX5LMNANPC1RAB9A

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