SCHEMBL1716767

SCHEMBL1716767

COC=C(C(=O)O)c1ccccc1COc1ccc(NCC2CC2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.40
BRD4 O60885 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
KCNH2 Q12809 1/20 0.36
SCN3A Q9NY46 1/20 0.36
FOLH1 Q04609 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
SCHEMBL1716766 1.00 FFAR1 (0.40) FFAR1BRD4PTGDR2ACHEBACE1
SCHEMBL1263798 0.93 FFAR1 (0.40) FFAR1BRD4KCNH2SCN3A
SCHEMBL1263792 0.93 FFAR1 (0.40) FFAR1BRD4KCNH2SCN3A
SCHEMBL1263790 0.93 FFAR1 (0.40) FFAR1BRD4KCNH2SCN3A
SCHEMBL1716768 0.92 FFAR1 (0.40) FFAR1BRD4PTGDR2ACHEBACE1
SCHEMBL1263796 0.87 FFAR1 (0.41) FFAR1BRD4KCNH2SCN3A
SCHEMBL1715708 0.84 ACHE (0.39) FFAR1BRD4PTGDR2ACHEBACE1
SCHEMBL1715706 0.84 BRD4 (0.39) FFAR1BRD4PTGDR2ACHEBACE1
SCHEMBL10087898 0.83 GAA (0.38) ACHEBACE1
SCHEMBL1263382 0.78 FFAR1 (0.40) FFAR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784173-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING METABOLIC BONE DISEASES CONTAINING ALPHA-ARYLMETHOXYACRYLATE DERIVATIVES KOREA RES INST CHEM TECH (KR) 2012-01-18 EP claimed
JP-4733698-B2 2011-07-27 JP claimed
EP-1784173-A4 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING METABOLIC BONE DISEASES CONTAINING ALPHA-ARYLMETHOXYACRYLATE DERIVATIVES KOREA RES INST CHEM TECH (KR) 2009-07-01 EP claimed
EP-1784173-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING METABOLIC BONE DISEASES CONTAINING ALPHA-ARYLMETHOXYACRYLATE DERIVATIVES Korea Research Institute of Chemical Technology (KR) 2007-05-16 EP claimed
WO-2005123054-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING METABOLIC BONE DISEASES CONTAINING ALPHA-ARYLMETHOXYACRYLATE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-12-29 WO claimed