SCHEMBL17187151

SCHEMBL17187151

O=P(O)(O)C(Nc1ccc(NC(P(=O)(O)O)P(=O)(O)O)cc1)P(=O)(O)O

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.83
CA12 O43570 8/20 0.83
CA1 P00915 5/20 0.83
CA2 P00918 3/20 0.83
MMP8 P22894 8/20 0.79
MMP14 P50281 7/20 0.79
MMP9 P14780 4/20 0.79
CA9 Q16790 5/20 0.78
CA14 Q9ULX7 7/20 0.73
FDFT1 P37268 1/20 0.60
FDPS P14324 1/20 0.57

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
SCHEMBL4088119 0.91 MMP2 (1.00) MMP2CA12CA1CA2MMP8
SCHEMBL4088837 0.89 MMP2 (0.68) MMP2CA12CA1CA2MMP8
(P-Tolylamino)Methylenediphosphonic Acid SCHEMBL11570312 0.89 CA12 (1.00) MMP2CA12CA1CA2MMP8
(Phenylamino)Methylenediphosphonic Acid SCHEMBL7796889 0.88 CA12 (1.00) MMP2CA12CA1CA2MMP8
SCHEMBL7790457 0.84 CA12 (0.64) MMP2CA12CA1CA2MMP8
SCHEMBL8586225 0.84 CA12 (0.65) MMP2CA12CA1CA2MMP8
SCHEMBL17187031 0.81 MMP2 (0.76) MMP2CA12CA1CA2MMP8
SCHEMBL3981723 0.80 CA12 (0.65) MMP2CA12CA1CA2MMP8
SCHEMBL7790656 0.78 FDFT1 (0.68) MMP2CA12CA1CA2MMP8
SCHEMBL7794868 0.77 FDFT1 (0.66) MMP2CA12CA1CA2MMP8

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
WO-2015159153-A1 NOVEL BISPHOSPHONATES AND THEIR USE WROCŁAWSKIE CENTRUM BADAŃ EIT+ SP. Z O.O. (PL) 2015-10-22 WO disclosed