SCHEMBL12048147

SCHEMBL12048147

CP(=O)(O)C(O)(C[n+]1cccc(Cc2ccccc2)c1)P(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 6/20 0.54
▸ FDPS P14324 13/20 0.48
▸ PTPN5 P54829 1/20 0.35
▸ BTN3A1 O00481 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL12048125 0.92 GGPS1 (0.59) GGPS1FDPSPTPN5BTN3A1PDE3A
SCHEMBL12048155 0.88 FDPS (0.49) GGPS1FDPSPTPN5BTN3A1PDE3A
SCHEMBL12048150 0.87 GGPS1 (0.46) GGPS1FDPSPTPN5ALDH1A1
SCHEMBL12048172 0.86 FDPS (0.50) GGPS1FDPSBTN3A1PDE3ASMN1; SMN2
SCHEMBL12048146 0.84 GGPS1 (0.76) GGPS1FDPSPTPN5ALDH1A1LMNA
SCHEMBL12048169 0.82 GGPS1 (0.49) GGPS1FDPS
SCHEMBL11952615 0.81 GGPS1 (0.52) GGPS1FDPSALDH1A1LMNA
SCHEMBL12048259 0.81 GGPS1 (0.52) GGPS1FDPS
SCHEMBL12048195 0.80 GGPS1 (0.51) GGPS1FDPS
SCHEMBL12048186 0.80 GGPS1 (0.51) GGPS1FDPSHTTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071573-B2 Bisphosphonate compounds and methods for bone resorption diseases, cancer, bone pain, immune disorders, and infectious diseases THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, A BODY CORPORATE AND POLITIC OF THE STATE OF ILLINOIS (US) 2011-12-06 — — US disclosed
US-7358361-B2 Biophosphonate compounds and methods for bone resorption diseases, cancer, bone pain, immune disorders, and infectious diseases THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-04-15 — — US disclosed
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