SCHEMBL14199567

SCHEMBL14199567

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

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 14/20 0.61
▸ FDPS P14324 2/20 0.45
▸ HDAC4 P56524 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ BRD4 O60885 1/20 0.37
▸ HSD17B1 P14061 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37
▸ FFAR1 O14842 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
SCHEMBL12436806 0.94 GGPS1 (0.65) GGPS1FDPSHDAC4HDAC8BRD4
SCHEMBL14199566 0.89 GGPS1 (0.68) GGPS1FDPSFFAR1
SCHEMBL14199589 0.87 GGPS1 (0.74) GGPS1FDPS
SCHEMBL14199565 0.86 GGPS1 (0.83) GGPS1FDPS
SCHEMBL14199553 0.82 GGPS1 (0.75) GGPS1FDPS
SCHEMBL12060536 0.82 GGPS1 (0.72) GGPS1FDPSFFAR1
SCHEMBL14199578 0.81 GGPS1 (0.53) GGPS1FDPS
SCHEMBL12060544 0.81 GGPS1 (0.79) GGPS1FDPS
SCHEMBL14199574 0.80 GGPS1 (0.54) GGPS1FDPS
SCHEMBL12257805 0.80 GGPS1 (0.88) 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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