SCHEMBL8714200

SCHEMBL8714200

O=P(O)(O)C(CN1CCCCCC1)S(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.55
ERAP2 Q6P179 1/20 0.55
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 3/20 0.44
HSD17B10 Q99714 1/20 0.41
FDPS P14324 2/20 0.39
ATM Q13315 2/20 0.39
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SLC6A9 P48067 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL8712070 0.98 ANPEP (0.52) ANPEPERAP2MEN1KMT2AMAPT
SCHEMBL8675612 0.74 ANPEP (0.64) ANPEPERAP2MEN1KMT2AMAPT
SCHEMBL8991677 0.74 ANPEP (0.64) ANPEPERAP2MEN1KMT2AMAPT
SCHEMBL5931962 0.74 KMT2A (0.50) ANPEPERAP2MEN1KMT2AMAPT
SCHEMBL8597910 0.71 ANPEP (0.61) ANPEPERAP2MEN1KMT2AMAPT
SCHEMBL8528864 0.71 ANPEP (0.55) ANPEPERAP2MEN1KMT2AMAPT
SCHEMBL354883 0.69 KMT2A (0.61) ANPEPERAP2MEN1KMT2AMAPT
SCHEMBL9276543 0.67 FDPS (0.48) ANPEPERAP2MEN1KMT2AMAPT
SCHEMBL3228691 0.66 LAP3 (0.44) FDPSCA12CA1CA2CA9
SCHEMBL10039985 0.66 MAPT (0.73) ANPEPERAP2MEN1KMT2AMAPT

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 2 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