SCHEMBL8713138

SCHEMBL8713138

O=P(O)(O)C(CNC1CCCCC1)S(=O)(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 5/20 0.58
ERAP2 Q6P179 5/20 0.58
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP2 P08253 4/20 0.37
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
MMP1 P03956 2/20 0.37
MMP8 P22894 1/20 0.37
MMP3 P08254 1/20 0.37
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
SLC2A1 P11166 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
SCHEMBL8716030 0.82 ANPEP (0.40) ANPEPERAP2KDM4ESMN1; SMN2LMNA
SCHEMBL9564518 0.77 ANPEP (0.68) ANPEPERAP2KDM4EHTTSMN1; SMN2
SCHEMBL9316055 0.77 ANPEP (0.68) ANPEPERAP2KDM4EHTTSMN1; SMN2
SCHEMBL9315989 0.77 ANPEP (0.68) ANPEPERAP2KDM4EHTTSMN1; SMN2
SCHEMBL18569456 0.75 KDM4E (0.59) ANPEPERAP2KDM4EHTTSMN1; SMN2
SCHEMBL14634284 0.74 KDM4E (0.52) ANPEPERAP2KDM4EHTTSMN1; SMN2
SCHEMBL9746636 0.72 ANPEP (0.60) ANPEPERAP2KDM4ESMN1; SMN2MMP2
SCHEMBL16111997 0.72 ANPEP (0.60) ANPEPERAP2KDM4ESMN1; SMN2MMP2
SCHEMBL11768023 0.71 KDM4E (0.48) ANPEPERAP2KDM4EHTTSMN1; SMN2
SCHEMBL7790207 0.70 ANPEP (0.58) ANPEPERAP2KDM4EHTTSMN1; 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 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