SCHEMBL8716030

SCHEMBL8716030

O=P(O)(O)C(CNC1CCCNC1)S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.40
ERAP2 Q6P179 3/20 0.40
CPN1 P15169 1/20 0.35
CPB2 Q96IY4 1/20 0.35
SLC6A1 P30531 2/20 0.33
KCNH2 Q12809 1/20 0.33
SLC6A11 P48066 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A13 Q9NSD5 1/20 0.33
MAPK1 P28482 1/20 0.32
OPRK1 P41145 1/20 0.32
APLNR P35414 2/20 0.32
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL8713138 0.82 ANPEP (0.58) ANPEPERAP2LMNASMN1; SMN2KDM4E
SCHEMBL8711864 0.75 CPN1 (0.46) ANPEPERAP2CPN1CPB2SLC6A1
SCHEMBL9223624 0.72 CPN1 (0.33) ANPEPERAP2CPN1CPB2MAPK1
SCHEMBL26416512 0.70 KCNH2 (0.48) CPN1CPB2SLC6A1KCNH2SLC6A11
SCHEMBL31014230 0.70 KCNH2 (0.48) CPN1CPB2SLC6A1KCNH2SLC6A11
SCHEMBL13630933 0.70 KCNH2 (0.48) CPN1CPB2SLC6A1KCNH2SLC6A11
SCHEMBL9082642 0.69 MAPK1 (0.38) ANPEPERAP2CPN1CPB2SLC6A1
SCHEMBL29080096 0.67 APLNR (0.42) CPN1CPB2SLC6A1SLC6A11TSHR
SCHEMBL6379177 0.64 SLC6A1 (0.46) CPN1CPB2SLC6A1KCNH2SLC6A11
SCHEMBL9082645 0.63 CPN1 (0.46) ANPEPERAP2CPN1CPB2SLC6A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1255501-A Novel phosphonyl sulfonic ester compound and its medicinal compsns. PROCTER & GAMBLE PHARMA (US) 2000-06-07 CN disclosed
CN-1229083-A Novel phosphononosulfonate compounds and its pharmaceutical compositions PROCTER & GAMBLE PHARMA (US) 1999-09-22 CN disclosed
EP-0642518-B1 PHOSPHONOSULFONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMA (US) 1998-08-05 EP disclosed
US-5731299-A OSTEOPOROSIS; RHEUMATOID ARTHRITIS THE PROCTER & GAMBLE COMPANY (US) 1998-03-24 US disclosed
EP-0642518-A1 PHOSPHONOSULFONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS (US) 1995-03-15 EP disclosed
CN-1087640-A Novel phosphonosulfonate compounds, pharmaceutical compositions, and methods for treating abnormal calcium and phosphate metabolism PROCTER & GAMBLE PHARMA (US) 1994-06-08 CN disclosed
WO-1993024495-A1 PHOSPHONOSULFONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1993-12-09 WO disclosed