SCHEMBL8160338

SCHEMBL8160338

CC(=O)SC(CCCc1ccccc1)C(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.44
ERAP1 Q9NZ08 2/20 0.44
ERAP2 Q6P179 1/20 0.44
S1PR2 O95136 2/20 0.44
S1PR4 O95977 2/20 0.44
S1PR1 P21453 2/20 0.44
S1PR3 Q99500 2/20 0.44
ACP3 P15309 1/20 0.43
GRIK1 P39086 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40

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
SCHEMBL8166284 0.86 S1PR1 (0.38) ANPEPERAP2S1PR2S1PR4S1PR1
SCHEMBL8467310 0.76 KMT2A (0.54) GRIK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8467307 0.75 HDAC3 (0.44) GRIK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9165792 0.73 ANPEP (0.51) ANPEPERAP1ERAP2S1PR2S1PR4
SCHEMBL8916211 0.72 ANPEP (0.58) ANPEPERAP1ERAP2S1PR2S1PR4
SCHEMBL7605703 0.71 ANPEP (0.56) ANPEPERAP1ERAP2S1PR2S1PR4
SCHEMBL11439526 0.70 S1PR2 (0.57) ANPEPERAP1ERAP2S1PR2S1PR4
SCHEMBL17475095 0.70 ANPEP (0.47) ANPEPERAP1ERAP2S1PR2S1PR4
SCHEMBL17475099 0.70 ANPEP (0.47) ANPEPERAP1ERAP2S1PR2S1PR4
SCHEMBL15548807 0.70 ANPEP (0.47) ANPEPERAP1ERAP2S1PR2S1PR4

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