SCHEMBL12048155

SCHEMBL12048155

CP(=O)(O)C(O)(C[n+]1ccc(Cc2ccccc2)cc1)P(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 13/20 0.49
▸ GGPS1 O95749 5/20 0.45
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PTPN5 P54829 1/20 0.37
▸ BTN3A1 O00481 1/20 0.36
▸ PDE3A Q14432 1/20 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
SCHEMBL12060363 0.91 FDPS (0.54) FDPSGGPS1LMNAALDH1A1HTT
SCHEMBL12048147 0.88 GGPS1 (0.54) FDPSGGPS1LMNAALDH1A1HTT
SCHEMBL12048185 0.85 GGPS1 (0.57) FDPSGGPS1PTPN5
SCHEMBL12048156 0.81 GGPS1 (0.47) FDPSGGPS1
SCHEMBL12048125 0.78 GGPS1 (0.59) FDPSGGPS1PTPN5BTN3A1PDE3A
SCHEMBL12048152 0.77 GGPS1 (0.48) FDPSGGPS1
SCHEMBL12048182 0.77 FDPS (0.42) FDPSGGPS1
SCHEMBL12048203 0.77 FDPS (0.40) FDPSGGPS1
SCHEMBL12048176 0.77 CHKA (0.41) FDPSGGPS1LMNAALDH1A1HTT
SCHEMBL12048146 0.76 GGPS1 (0.76) FDPSGGPS1LMNAALDH1A1HTT

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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