SCHEMBL8711864

SCHEMBL8711864

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.46
CPB2 Q96IY4 2/20 0.46
APLNR P35414 2/20 0.34
KMT2A Q03164 2/20 0.34
FDPS P14324 1/20 0.33
EPHX1 P07099 1/20 0.33
SCN9A Q15858 1/20 0.32
SLC6A1 P30531 4/20 0.32
SLC6A11 P48066 3/20 0.32
SLC6A13 Q9NSD5 3/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ANPEP P15144 1/20 0.31
ERAP2 Q6P179 1/20 0.31
METAP1 P53582 1/20 0.31
GABRA5 P31644 2/20 0.31
GABRB2 P47870 2/20 0.31
SLC6A12 P48065 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL8701899 0.80 CPN1 (0.53) CPN1CPB2KMT2AFDPSEPHX1
SCHEMBL8716030 0.75 ANPEP (0.40) CPN1CPB2APLNRSLC6A1SLC6A11
SCHEMBL8712184 0.72 METAP1 (0.33) TSHRLMNASMN1; SMN2METAP1CYP2D6
SCHEMBL8713222 0.71 FDPS (0.64) KMT2AFDPSTSHRLMNASMN1; SMN2
Iodide SCHEMBL8712885 0.71 CHRNB2 (0.30)
SCHEMBL9081587 0.70 METAP1 (0.44) CPN1CPB2KMT2AFDPSEPHX1
SCHEMBL355219 0.70 CPN1 (0.44) CPN1CPB2APLNRKMT2AEPHX1
SCHEMBL8712585 0.69 CPN1 (0.35) CPN1CPB2APLNRKMT2AFDPS
SCHEMBL1062937 0.68 CPN1 (0.62) CPN1CPB2KMT2AEPHX1SLC6A1
SCHEMBL1798686 0.68 CPN1 (0.54) CPN1CPB2APLNRKMT2AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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