SCHEMBL9633361

SCHEMBL9633361

CC(C)CCCC(C)CCCCC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
FDPS P14324 8/20 0.57
BLM P54132 1/20 0.53
GGPS1 O95749 1/20 0.40
PTPN1 P18031 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9569187 0.92 BLM (0.53) LMNAFDPSBLMGGPS1PTPN1
SCHEMBL20058314 0.89 FDPS (0.68) FDPSGGPS1
SCHEMBL20582647 0.81 LMNA (0.54) LMNAFDPSBLMPTPN1MEN1
SCHEMBL2398165 0.81 LMNA (0.54) LMNAFDPSBLMPTPN1MEN1
SCHEMBL8915245 0.80 FDPS (0.45) LMNAFDPSBLMGGPS1PTPN1
SCHEMBL20699855 0.79 FDPS (0.75) FDPS
SCHEMBL2321372 0.79 FDPS (0.70) FDPS
SCHEMBL12570893 0.77 FDPS (0.59) FDPSGGPS1
SCHEMBL10863085 0.77 FDPS (0.76) FDPS
Squalane SCHEMBL4708649 0.76 LMNA (1.00) LMNABLMPTPN1MEN1CYP3A4

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-0513761-A2 Bisphosphonate squalene synthetase inhibitors E.R. SQUIBB & SONS, INC. (US) 1992-11-19 EP claimed
EP-0513761-A2 Bisphosphonate squalene synthetase inhibitors E.R. SQUIBB & SONS, INC. (US) 1992-11-19 EP disclosed
US-5157027-A Anticholesterol agents E. R. SQUIBB & SONS, INC. (US) 1992-10-20 US disclosed