SCHEMBL7097990

SCHEMBL7097990

CC(=O)C(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.53
SLC6A3 Q01959 4/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
S1PR1 P21453 2/20 0.50
S1PR5 Q9H228 2/20 0.50
HTR2A P28223 1/20 0.50
KCNH2 Q12809 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
ADAM17 P78536 1/20 0.45
ALOX5 P09917 2/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HRH3 Q9Y5N1 2/20 0.45
PDGFRA P16234 1/20 0.44
ROCK1 Q13464 1/20 0.44

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
SCHEMBL7101807 0.82 ALOX5 (0.57) FFAR1MAOBALOX5HDAC6
SCHEMBL7102376 0.76 ALOX5 (0.45) FFAR1MAOBALOX5HDAC6
SCHEMBL1151518 0.75 FFAR1 (0.58) FFAR1S1PR1S1PR5HTR2AKCNH2
SCHEMBL540059 0.73 MAOB (0.70) S1PR1S1PR5HTR2AKCNH2SIGMAR1
SCHEMBL5880785 0.73 S1PR1 (0.56) FFAR1S1PR1S1PR5HTR2AKCNH2
SCHEMBL1151128 0.73 FFAR1 (0.58) FFAR1S1PR1S1PR5HTR2AKCNH2
SCHEMBL1152037 0.73 FFAR1 (0.61) FFAR1S1PR1S1PR5HTR2AKCNH2
SCHEMBL5736102 0.73 SLC6A3 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL3214630 0.72 FFAR1 (0.58) FFAR1S1PR1S1PR5HTR2AKCNH2
SCHEMBL1151928 0.72 FFAR1 (0.58) FFAR1S1PR1S1PR5HTR2AKCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 WO disclosed