SCHEMBL8712585

SCHEMBL8712585

O=P(O)(O)C(O)(CC1CCCNC1)S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.35
CPB2 Q96IY4 1/20 0.35
FDPS P14324 1/20 0.35
APLNR P35414 2/20 0.33
KMT2A Q03164 2/20 0.33
EPHX1 P07099 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SCN9A Q15858 1/20 0.32
SLC6A1 P30531 4/20 0.31
SLC6A11 P48066 3/20 0.31
SLC6A13 Q9NSD5 3/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GABRA5 P31644 2/20 0.30
GABRB2 P47870 2/20 0.30
SLC6A12 P48065 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 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
SCHEMBL8701605 0.81 FDPS (0.51) CPN1CPB2FDPSKMT2AEPHX1
SCHEMBL8706215 0.80 FDPS (0.50) CPN1CPB2FDPSKMT2AEPHX1
SCHEMBL9085173 0.75 CPN1 (0.39) CPN1CPB2FDPSKMT2AEPHX1
SCHEMBL9084192 0.75 CPN1 (0.39) CPN1CPB2FDPSAPLNRKMT2A
SCHEMBL8706218 0.75 FDPS (0.42) CPN1CPB2FDPSKMT2AEPHX1
SCHEMBL7860079 0.75 CPN1 (0.42) CPN1CPB2FDPSKMT2AEPHX1
SCHEMBL9806687 0.73 FDPS (0.49) FDPSSLC6A1SLC6A11SLC6A13LMNA
SCHEMBL8711893 0.72 ATM (0.32) SMN1; SMN2ATM
SCHEMBL9084709 0.72 KMT2A (0.42) CPN1CPB2FDPSKMT2AEPHX1
SCHEMBL8717214 0.72 FDPS (0.65) FDPSKMT2ATSHRLMNASMN1; SMN2

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