SCHEMBL7987336

SCHEMBL7987336

O=C(O)CC(=O)C12CCN(CC1)CC2

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.35
SRR Q9GZT4 1/20 0.35
GSK3B P49841 1/20 0.30
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
SCHEMBL7983365 0.87 CHRM2 (0.33) LDHASRR
SCHEMBL592855 0.72 FFAR3 (0.35)
SCHEMBL7991424 0.70
SCHEMBL7497891 0.68 GSK3B (0.30) GSK3BDYRK1A
SCHEMBL28435415 0.67 CYP2C19 (0.38)
SCHEMBL9444180 0.65 CHRM2 (0.31)
Hydrochloric Acid SCHEMBL2424160 0.65 CYP2C19 (0.37)
SCHEMBL22777558 0.64 LMNA (0.35)
SCHEMBL6707961 0.64 FFAR3 (0.50) LDHASRR
SCHEMBL19900306 0.64 LDHA (0.40) LDHASRR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001014310-A1 PLEUROMUTILIN β-KETOESTERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-03-01 WO claimed
WO-2001014310-A1 PLEUROMUTILIN β-KETOESTERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-03-01 WO disclosed