SCHEMBL12048173

SCHEMBL12048173

CCCCc1ccc(-c2ccc[n+](CC(O)(P(C)(=O)O)P(=O)(O)O)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 9/20 0.56
▸ FDPS P14324 4/20 0.39
▸ RARB P10826 1/20 0.39
▸ ENPP2 Q13822 1/20 0.39
▸ FDFT1 P37268 1/20 0.37
▸ S1PR2 O95136 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ LPAR2 Q9HBW0 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ CHRNA10 Q9GZZ6 1/20 0.36
▸ CHRNA9 Q9UGM1 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
SCHEMBL12060365 0.94 GGPS1 (0.59) GGPS1FDPSRARBENPP2FDFT1
SCHEMBL12048169 0.87 GGPS1 (0.49) GGPS1FDPS
SCHEMBL12048201 0.86 GGPS1 (0.55) GGPS1FDPSRARBS1PR1
SCHEMBL12048146 0.84 GGPS1 (0.76) GGPS1FDPSCHRNA7CHRNA10CHRNA9
SCHEMBL14199552 0.83 GGPS1 (0.63) GGPS1FDPS
SCHEMBL12048188 0.82 GGPS1 (0.62) GGPS1FDPS
SCHEMBL12060364 0.81 GGPS1 (0.52) GGPS1FDPS
SCHEMBL12048161 0.81 GGPS1 (0.59) GGPS1FDPS
SCHEMBL12048208 0.81 GGPS1 (0.59) GGPS1FDPS
SCHEMBL12048205 0.81 GGPS1 (0.59) GGPS1FDPS

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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