SCHEMBL8166284

SCHEMBL8166284

CC(=O)SC(CCCc1ccc(N)cc1)C(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.38
S1PR3 Q99500 10/20 0.38
S1PR4 O95977 8/20 0.38
S1PR2 O95136 7/20 0.38
ANPEP P15144 1/20 0.36
ERAP2 Q6P179 1/20 0.36
S1PR5 Q9H228 3/20 0.36
ENPP2 Q13822 1/20 0.35
MAOB P27338 2/20 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
SCHEMBL8160338 0.86 ANPEP (0.44) S1PR1S1PR3S1PR4S1PR2ANPEP
SCHEMBL8465177 0.77 MAOB (0.41) S1PR1S1PR3S1PR2MAOB
SCHEMBL8465173 0.76 MAOB (0.40) S1PR1S1PR3S1PR2MAOB
SCHEMBL9163250 0.75 ANPEP (0.41) S1PR1S1PR3S1PR4S1PR2ANPEP
SCHEMBL9472755 0.67 MAOB (0.50) MAOB
SCHEMBL3544544 0.67 MAOB (0.53) S1PR1S1PR3S1PR2MAOB
SCHEMBL10636838 0.66 MAOB (0.48) MAOB
SCHEMBL8697867 0.65 S1PR2 (0.47) S1PR1S1PR3S1PR4S1PR2MAOB
SCHEMBL8269268 0.65 MAOB (0.50) MAOB
SCHEMBL7056724 0.65 MAOB (0.50) MAOB

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-0642519-B1 SULFUR-CONTAINING PHOSPONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMA (US) 2000-08-09 EP disclosed
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