SCHEMBL810019

SCHEMBL810019

C=Cc1cc(OC(C)=O)c2cc3cc(CCl)ccc3cc2c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
HTR2C P28335 1/20 0.36
ALOX5 P09917 2/20 0.34
AKT1 P31749 1/20 0.34
F2 P00734 2/20 0.33
NPC1 O15118 2/20 0.33
CFD P00746 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
GSTP1 P09211 1/20 0.33
SRD5A1 P18405 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL809734 0.90 PTGS1 (0.41) PTGS1HTR2CALOX5AKT1NPC1
SCHEMBL810293 0.84 TTR (0.39) PTGS1HTR2CALOX5LMNAHTT
SCHEMBL810556 0.77 KDM4E (0.31) HTR2C
SCHEMBL810249 0.76
SCHEMBL810545 0.73 HTR2C (0.39) HTR2CNPC1LMNAPKMHTT
SCHEMBL809745 0.73 PTGS1 (0.51) PTGS1ALOX5AKT1F2NPC1
SCHEMBL810068 0.72 PTGS1 (0.50) PTGS1ALOX5AKT1NPC1CFD
SCHEMBL28188938 0.70 LMNA (0.47) PTGS1NPC1LMNAPKMHTT
SCHEMBL809846 0.69 TRPA1 (0.41) PTGS1ALOX5AKT1NPC1LMNA
SCHEMBL3624975 0.69 KDM4E (0.53) HTR2CLMNAKMT2A

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