SCHEMBL17156982

SCHEMBL17156982

CN(CCCOc1cccc(CN(C)c2cccc3c(N(C)C)cccc23)c1)CCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 9/20 0.54
▸ ACHE P22303 11/20 0.51
▸ BCHE P06276 6/20 0.50

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
SCHEMBL2790125 0.88 ACHE (0.43) LTA4HACHEBCHE
SCHEMBL2789343 0.86 LTA4H (0.48) LTA4HACHEBCHE
SCHEMBL3663034 0.82 LTA4H (0.65) LTA4HACHEBCHE
SCHEMBL17156985 0.78 LTA4H (0.66) LTA4HACHEBCHE
SCHEMBL12991254 0.76 ACHE (0.39) LTA4HACHEBCHE
SCHEMBL12972910 0.76 ACHE (0.41) LTA4HACHEBCHE
SCHEMBL17156991 0.75 LTA4H (0.59) LTA4HACHEBCHE
SCHEMBL2787278 0.74 LTA4H (0.89) LTA4H
Hydrochloric Acid SCHEMBL9772589 0.74 LTA4H (0.66) LTA4H
SCHEMBL10970748 0.73 FFAR1 (0.50) LTA4HACHEBCHE

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
EP-2240501-B1 HYDROXY-BISPHOSPHONIC ACID DERIVATIVES AS VECTOR FOR TARGETING BONE TISSUE UNIV NANTES (FR) 2015-10-14 — — EP disclosed
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