SCHEMBL3663034

SCHEMBL3663034

CN(CCCOc1cccc(CO)c1)CCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 11/20 0.65
▸ ACHE P22303 7/20 0.55
▸ BCHE P06276 4/20 0.54

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
SCHEMBL17156985 0.88 LTA4H (0.66) LTA4HACHEBCHE
SCHEMBL17156991 0.87 LTA4H (0.59) LTA4HACHEBCHE
SCHEMBL2788674 0.84 LTA4H (0.49) LTA4HACHEBCHE
SCHEMBL2787278 0.83 LTA4H (0.89) LTA4H
Hydrochloric Acid SCHEMBL9772589 0.83 LTA4H (0.66) LTA4H
SCHEMBL17156982 0.82 LTA4H (0.54) LTA4HACHEBCHE
Hydrochloric Acid SCHEMBL9157294 0.82 LTA4H (0.86) LTA4HACHEBCHE
SCHEMBL2422195 0.81 KDM4E (0.57) —
SCHEMBL4531624 0.79 LTA4H (1.00) LTA4H
SCHEMBL17156989 0.79 ACHE (0.47) 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 3 patents. 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
EP-2240501-A1 HYDROXY-BISPHOSPHONIC ACID DERIVATIVES AS VECTOR FOR TARGETING BONE TISSUE Université de Nantes (FR) 2010-10-20 — — EP disclosed
WO-2009083614-A1 HYDROXY-BISPHOSPHONIC ACID DERIVATIVES AS VECTOR FOR TARGETING BONE TISSUE UNIVERSITE DE NANTES (FR) 2009-07-09 — — WO disclosed
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