SCHEMBL8563414

SCHEMBL8563414

CC(C)(C(=O)OC(=O)C(C)(C)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
FDPS P14324 3/20 0.39
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CA2 P00918 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
SCHEMBL8563422 0.87 ALDH1A1 (0.41) LMNAFDPS
SCHEMBL992 0.81 DGAT1 (0.41) LMNAFDPSPGK1PGK2CA2
SCHEMBL9697626 0.79 DGAT1 (0.39) LMNAFDPSCA2
SCHEMBL1239900 0.79 DGAT1 (0.44) LMNAFDPS
SCHEMBL4603883 0.75 LMNA (0.35) LMNAFDPS
SCHEMBL1450701 0.75 CYP4F2 (0.41) LMNAFDPSKDM4EMEN1KMT2A
SCHEMBL2242184 0.72 FDPS (0.39) LMNAFDPS
SCHEMBL2087244 0.71 LMNA (0.45) LMNAFDPSPGK1PGK2CA2
SCHEMBL1336319 0.71 LMNA (0.45) LMNAFDPSPGK1PGK2MEN1
SCHEMBL8563162 0.69 LMNA (0.32) LMNAFDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526642-B1 TRITERPENE DERIVATIVE SHIONOGI & CO (JP) 1998-04-01 EP claimed
EP-0526642-A1 TRITERPENE DERIVATIVE SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-02-10 EP claimed
EP-0526642-B1 TRITERPENE DERIVATIVE SHIONOGI & CO (JP) 1998-04-01 EP disclosed
US-5248807-A Endothelin antagonists, treatment of cardiovascular disorders SHIONOGI & CO., LTD. (JP) 1993-09-28 US disclosed
EP-0526642-A1 TRITERPENE DERIVATIVE SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-02-10 EP disclosed