SCHEMBL27654036

SCHEMBL27654036

COc1c(CO)ccc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.41
MAPT P10636 1/20 0.38
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CD274 Q9NZQ7 2/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
PDCD1 Q15116 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
CXCR2 P25025 1/20 0.32
CA2 P00918 1/20 0.31

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
SCHEMBL31287985 1.00 MEP1B (0.41) MEP1BMAPTPDE4APDE4BPDE4C
SCHEMBL8470910 0.84 MEP1B (0.51) MEP1BMAPTPDE4APDE4BPDE4C
SCHEMBL23286528 0.82 CA2 (0.38) MEP1BMAPTPDE4APDE4BPDE4C
SCHEMBL4435401 0.82 MAPT (0.37) MEP1BMAPTPDE4APDE4BPDE4C
SCHEMBL14948906 0.82 MEP1B (0.42) MEP1BALDH1A1HTR2AHTR2CHTR2B
SCHEMBL27471219 0.81 MEP1B (0.43) MEP1BMAPTPDE4APDE4BPDE4C
SCHEMBL8134900 0.81 MEP1B (0.39) MEP1BMAPTPDE4APDE4BPDE4C
SCHEMBL4592472 0.80 MEP1B (0.41) MEP1BMAPTALDH1A1HTR2AHTR2C
SCHEMBL13548303 0.78 HMGCR (0.39) MEP1BALDH1A1HTR2AHTR2CHTR2B
SCHEMBL24780447 0.78 MEP1B (0.43) MEP1BKDM4ECD274

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
CN-1914173-A Quinolines useful in treating cardiovascular disease WYETH CORP (US) 2007-02-14 CN disclosed