SCHEMBL1715706

SCHEMBL1715706

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
FFAR1 O14842 9/20 0.38
FOLH1 Q04609 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN3A Q9NY46 1/20 0.36
CD274 Q9NZQ7 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
GRIN2B Q13224 1/20 0.36
PDCD1 Q15116 1/20 0.35
ALDH2 P05091 1/20 0.35

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
SCHEMBL1715708 0.93 ACHE (0.39) BRD4FFAR1FOLH1PTGDR2ACHE
SCHEMBL1716768 0.86 FFAR1 (0.40) BRD4FFAR1FOLH1PTGDR2ACHE
SCHEMBL1263376 0.84 FFAR1 (0.40) FFAR1FOLH1CD274MRGPRX4
SCHEMBL1716766 0.84 FFAR1 (0.40) BRD4FFAR1FOLH1PTGDR2ACHE
SCHEMBL1716767 0.84 FFAR1 (0.40) BRD4FFAR1FOLH1PTGDR2ACHE
SCHEMBL1263796 0.82 FFAR1 (0.41) BRD4FFAR1KCNH2SCN3AALDH2
SCHEMBL1263798 0.80 FFAR1 (0.40) BRD4FFAR1KCNH2SCN3AALDH2
SCHEMBL1263792 0.80 FFAR1 (0.40) BRD4FFAR1KCNH2SCN3AALDH2
SCHEMBL1263790 0.80 FFAR1 (0.40) BRD4FFAR1KCNH2SCN3AALDH2
SCHEMBL1716216 0.80 NR1H4 (0.37) FOLH1PTGDR2KCNH2SCN3ACD274

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-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