SCHEMBL12048176

SCHEMBL12048176

CN(C)c1cc[n+](CC(O)(P(C)(=O)O)P(=O)(O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 6/20 0.41
▸ FDPS P14324 4/20 0.40
▸ HTT P42858 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GGPS1 O95749 1/20 0.38
▸ MITF O75030 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NR2F2 P24468 1/20 0.36
▸ ATM Q13315 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
SCHEMBL12060356 0.92 FDPS (0.46) CHKAFDPSHTTSMN1; SMN2ALDH1A1
SCHEMBL12048203 0.79 FDPS (0.40) FDPSGGPS1
SCHEMBL12048182 0.79 FDPS (0.42) FDPSGGPS1ATM
SCHEMBL12048185 0.79 GGPS1 (0.57) FDPSGGPS1
SCHEMBL12048156 0.77 GGPS1 (0.47) FDPSGGPS1
SCHEMBL12048155 0.77 FDPS (0.49) FDPSHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL12048193 0.77 FDPS (0.46) FDPSGGPS1
SCHEMBL12048194 0.76 GGPS1 (0.44) FDPSGGPS1
SCHEMBL12048152 0.74 GGPS1 (0.48) FDPSGGPS1MAPT
SCHEMBL11952615 0.72 GGPS1 (0.52) FDPSALDH1A1LMNAGGPS1ATM

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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