SCHEMBL12048261

SCHEMBL12048261

COc1cccc(-c2ccc[n+](CC(O)(P(C)(=O)O)P(=O)(O)O)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 7/20 0.58
▸ HDAC4 P56524 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ FDPS P14324 1/20 0.37
▸ SLC13A5 Q86YT5 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ HSD17B1 P14061 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KAT6A Q92794 1/20 0.35
▸ MAOB P27338 1/20 0.34
▸ PTPN5 P54829 1/20 0.34

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
SCHEMBL12060548 0.94 GGPS1 (0.62) GGPS1HDAC4HDAC8FDPSSLC13A5
SCHEMBL12048205 0.88 GGPS1 (0.59) GGPS1HDAC4HDAC8FDPS
SCHEMBL12048171 0.87 GGPS1 (0.49) GGPS1FDPS
SCHEMBL12048151 0.86 GGPS1 (0.78) GGPS1FDPSPTPN5
SCHEMBL12048146 0.83 GGPS1 (0.76) GGPS1FDPSPTPN5
SCHEMBL12060540 0.82 GGPS1 (0.63) GGPS1HDAC4HDAC8FDPS
SCHEMBL12060353 0.80 GGPS1 (0.52) GGPS1FDPS
SCHEMBL14199552 0.80 GGPS1 (0.63) GGPS1FDPSPTPN5
SCHEMBL12048188 0.79 GGPS1 (0.62) GGPS1FDPSPTPN5
SCHEMBL12060355 0.78 GGPS1 (0.85) GGPS1FDPSPTPN5

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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