SCHEMBL8563422

SCHEMBL8563422

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FDPS P14324 1/20 0.35

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
SCHEMBL8563414 0.87 LMNA (0.41) LMNAFDPS
SCHEMBL992 0.75 DGAT1 (0.41) ALDH1A1LMNAFDPS
SCHEMBL9697626 0.73 DGAT1 (0.39) ALDH1A1LMNAFDPS
SCHEMBL1239900 0.73 DGAT1 (0.44) LMNAFDPS
SCHEMBL8563175 0.73 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL4316110 0.71 ALDH1A1 (0.53) ALDH1A1TSHRLMNAHSD17B10TDP1
SCHEMBL2087244 0.71 LMNA (0.45) LMNAFDPS
SCHEMBL214755 0.71 ALDH1A1 (0.53) ALDH1A1TSHRLMNAHSD17B10TDP1
Phosphoric Acid SCHEMBL10414686 0.70 ALDH1A1 (0.71) ALDH1A1TSHRLMNAHSD17B10TDP1
SCHEMBL4603883 0.70 LMNA (0.35) 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