SCHEMBL9790801

SCHEMBL9790801

O=P(O)(O)C(Nc1nnco1)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.40
CA9 Q16790 1/20 0.40
MMP2 P08253 4/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 1/20 0.39
FDPS P14324 9/20 0.39
MMP8 P22894 2/20 0.38
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38
FDFT1 P37268 2/20 0.37

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
SCHEMBL9790706 0.70 FDPS (0.50) CA12CA9MMP2FDPSFDFT1
SCHEMBL9790744 0.69 FDPS (0.49) CA12CA9MMP2FDPSFDFT1
SCHEMBL10337554 0.64 FDPS (0.49) CA12CA1FDPSMMP8FDFT1
SCHEMBL9790674 0.63 FDPS (0.44) CA12CA9MMP2CA1CA2
SCHEMBL9790600 0.63 FDPS (0.54) CA12CA9MMP2CA1CA2
SCHEMBL17187151 0.62 MMP2 (0.83) CA12CA9MMP2CA1CA2
SCHEMBL9790605 0.61 NPC1 (0.51) CA12CA9MMP2CA2FDPS
SCHEMBL9790750 0.61 FDPS (0.41) FDPSFDFT1
SCHEMBL7797073 0.60 FDPS (0.61) CA12CA9FDPSMMP8MMP14
SCHEMBL8974849 0.59 FDPS (0.50) CA12CA9MMP2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5057505-A Treatment of illnesses attributed to calcium metabolism disorders CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed