SCHEMBL9024090

SCHEMBL9024090

CCOC(=O)C(O)(O)CCC/C=C/c1c(-c2ccc(F)cc2)c(C)n(S(C)(=O)=O)c1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.33
CACNA1G O43497 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
CHRNA7 P36544 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
SCHEMBL9023815 0.92 GCGR (0.31)
SCHEMBL9023869 0.88 HMGCR (0.35)
SCHEMBL9024726 0.83 HMGCR (0.33)
SCHEMBL9025275 0.76 GCGR (0.34)
SCHEMBL9024854 0.73 CACNA1G (0.34) CACNA1GSMN1; SMN2MEN1MAPTKMT2A
SCHEMBL3971715 0.72 ABCC3 (0.38) PTGS2
SCHEMBL8805119 0.72 ALDH1A1 (0.40) PTGS2
SCHEMBL9025210 0.71 HMGCR (0.32)
SCHEMBL9025290 0.71 PTGS2 (0.33) PTGS2
SCHEMBL8806650 0.70 HMGCR (0.37) MAPT

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