SCHEMBL14199566

SCHEMBL14199566

CCOc1cccc(-c2ccc[n+](CC(P(C)(=O)O)P(=O)(O)O)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 15/20 0.68
▸ FDPS P14324 2/20 0.48
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL12060536 0.94 GGPS1 (0.72) GGPS1FDPSRXRARXRBGAA
SCHEMBL14199589 0.91 GGPS1 (0.74) GGPS1FDPSGAAKDM4E
SCHEMBL14199565 0.90 GGPS1 (0.83) GGPS1FDPS
SCHEMBL14199567 0.89 GGPS1 (0.61) GGPS1FDPSFFAR1
SCHEMBL12257838 0.87 GGPS1 (0.66) GGPS1FDPS
SCHEMBL12060544 0.85 GGPS1 (0.79) GGPS1FDPSGAAKDM4E
SCHEMBL12257805 0.84 GGPS1 (0.88) GGPS1FDPS
SCHEMBL12436806 0.82 GGPS1 (0.65) GGPS1FDPS
SCHEMBL14199553 0.81 GGPS1 (0.75) GGPS1FDPS
SCHEMBL12257803 0.81 GGPS1 (0.74) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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