SCHEMBL9170443

SCHEMBL9170443

O=P(O)(O)C(C(S)CC1CCCCC1)P(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.44
ACP3 P15309 2/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
CA9 Q16790 1/20 0.38
FDPS P14324 2/20 0.37
ANPEP P15144 2/20 0.36
ERAP2 Q6P179 2/20 0.36

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
SCHEMBL18230965 0.77 FDPS (0.55) METAP1ACP3CA12CA1CA2
SCHEMBL13327340 0.70 FDPS (0.52) METAP1ACP3CA12CA1CA2
SCHEMBL4104306 0.69 METAP1 (0.49) METAP1ACP3CA12CA1CA2
SCHEMBL1649220 0.68 METAP1 (0.43) METAP1ACP3CA12CA1CA2
SCHEMBL7435009 0.68 METAP1 (0.51) METAP1ACP3ANPEPERAP2
SCHEMBL7431441 0.68 METAP1 (0.51) METAP1ACP3ANPEPERAP2
SCHEMBL777378 0.68 METAP1 (0.47) METAP1ACP3CA12CA1CA2
SCHEMBL2331815 0.68 METAP1 (0.50) METAP1CA12CA1CA2MMP1
SCHEMBL10941895 0.66 METAP1 (0.48) METAP1ACP3CA12CA1CA2
Phosphoric Acid SCHEMBL11497465 0.66 METAP1 (0.48) METAP1ACP3CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650361-A1 COMPOSITIONS FOR THE TREATMENT OF ARTHRITIS CONTAINING PHOSPHONATES AND NSAIDS PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1995-05-03 EP disclosed
EP-0642519-A1 SULFUR-CONTAINING PHOSPONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS (US) 1995-03-15 EP disclosed
WO-1994000130-A1 COMPOSITIONS FOR THE TREATMENT OF ARTHRITIS CONTAINING PHOSPHONATES AND NSAIDS PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1994-01-06 WO disclosed
WO-1993024496-A1 SULFUR-CONTAINING PHOSPONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1993-12-09 WO disclosed