SCHEMBL9167777

SCHEMBL9167777

CC(C)(S)C(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 2/20 0.38
LMNA P02545 1/20 0.36
FDPS P14324 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
PTGS1 P23219 1/20 0.35
GRM4 Q14833 1/20 0.33
CA2 P00918 1/20 0.32

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
SCHEMBL9243461 0.97 LAP3 (0.36) LAP3LMNAFDPSALDH1A1MAPT
SCHEMBL9243464 0.83 KDM4E (0.32) LAP3
SCHEMBL10778021 0.72 ALDH1A1 (0.42) LAP3LMNAFDPSALDH1A1MAPT
SCHEMBL20699856 0.71 LAP3 (0.43) LAP3LMNAFDPSGRM4CA2
SCHEMBL3890060 0.69 LAP3 (0.41) LAP3LMNAFDPSGRM4CA2
SCHEMBL6784445 0.69 LAP3 (0.42) LAP3LMNAFDPSALDH1A1GRM4
SCHEMBL6772245 0.67
SCHEMBL27620923 0.67
SCHEMBL11160316 0.67 LAP3 (0.39) LAP3FDPSALDH1A1MAPTPTGS1
SCHEMBL9632832 0.67 FDPS (0.43) LAP3LMNAFDPSGRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650361-A1 COMPOSITIONS FOR THE TREATMENT OF ARTHRITIS CONTAINING PHOSPHONATES AND NSAIDS PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1995-05-03 EP disclosed
EP-0642519-A1 SULFUR-CONTAINING PHOSPONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS (US) 1995-03-15 EP disclosed
WO-1994000130-A1 COMPOSITIONS FOR THE TREATMENT OF ARTHRITIS CONTAINING PHOSPHONATES AND NSAIDS PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1994-01-06 WO disclosed
WO-1993024496-A1 SULFUR-CONTAINING PHOSPONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1993-12-09 WO disclosed