SCHEMBL12048208

SCHEMBL12048208

CC(=O)c1ccc(-c2ccc[n+](CC(O)(P(C)(=O)O)P(=O)(O)O)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 6/20 0.59
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ FDPS P14324 2/20 0.39
▸ LMNA P02545 5/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ RAB9A P51151 2/20 0.36
▸ HSD17B1 P14061 2/20 0.35
▸ HTT P42858 1/20 0.31

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
SCHEMBL12048146 0.87 GGPS1 (0.76) GGPS1SMN1; SMN2FDPSLMNAKDM4E
SCHEMBL14199552 0.86 GGPS1 (0.63) GGPS1SMN1; SMN2FDPSLMNAKDM4E
SCHEMBL12048188 0.85 GGPS1 (0.62) GGPS1FDPSLMNAKDM4EALDH1A1
SCHEMBL12048161 0.83 GGPS1 (0.59) GGPS1FDPS
SCHEMBL12048205 0.83 GGPS1 (0.59) GGPS1FDPSLMNAALDH1A1RAB9A
SCHEMBL12048151 0.83 GGPS1 (0.78) GGPS1SMN1; SMN2FDPSLMNARAB9A
SCHEMBL12048173 0.81 GGPS1 (0.56) GGPS1FDPS
SCHEMBL12048201 0.80 GGPS1 (0.55) GGPS1FDPS
SCHEMBL12060352 0.79 GGPS1 (0.84) GGPS1SMN1; SMN2FDPSLMNARAB9A
SCHEMBL12060371 0.77 GGPS1 (0.67) GGPS1FDPSLMNAKDM4EALDH1A1

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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