SCHEMBL9024739

SCHEMBL9024739

CC(C)c1[nH]cc(-c2ccc(F)cc2)c1/C=C/C#N

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGS2 P35354 4/20 0.32
GCGR P47871 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
AR P10275 1/20 0.32
TDO2 P48775 3/20 0.31
DYRK1A Q13627 1/20 0.30

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
SCHEMBL9024445 0.75 GAA (0.35) GAAPTGS2GCGR
SCHEMBL9518155 0.72 HMGCR (0.53) KDM4EALDH1A1GAASMN1; SMN2NR3C1
SCHEMBL9518598 0.66 HMGCR (0.56)
SCHEMBL10397582 0.66 GCGR (0.40) PTGS2GCGR
SCHEMBL2574887 0.64 HMGCR (0.40) ALDH1A1
SCHEMBL9087114 0.64 LMNA (0.35) ALDH1A1GAAGCGR
SCHEMBL9087121 0.64 LMNA (0.35) ALDH1A1GAAGCGR
SCHEMBL9410841 0.63 GCGR (0.32) GCGR
SCHEMBL9410843 0.63 GCGR (0.32) GCGR
SCHEMBL9025173 0.63 PRKCZ (0.52) KDM4EALDH1A1GAASMN1; SMN2GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0464845-B1 Pyrrole derivatives SHIONOGI & CO (JP) 1996-06-05 EP disclosed
US-5128366-A Enzyme inhibitors, anticholesterol SHINOGI & CO., LTD. (JP) 1992-07-07 US disclosed
EP-0464845-A1 Pyrrole derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1992-01-08 EP disclosed