SCHEMBL29423910

SCHEMBL29423910

CCOC(=O)C1C2Cc3cc(OCc4cc(B5OC(C)(C)C(C)(C)O5)ccc4F)ccc3C21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.38
ROCK1 Q13464 1/20 0.36
SCN3A Q9NY46 3/20 0.34
HIF1A Q16665 5/20 0.34
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
CACNA1C Q13936 1/20 0.31
KCNH2 Q12809 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL16845952 1.00 FFAR1 (0.38) FFAR1ROCK1SCN3AHIF1ABACE1
SCHEMBL29423898 1.00 FFAR1 (0.38) FFAR1ROCK1SCN3AHIF1ABACE1
SCHEMBL19669155 0.90 ROCK1 (0.38) FFAR1ROCK1SCN3AHIF1ABACE1
SCHEMBL18940276 0.90 FFAR1 (0.43) FFAR1ROCK1SCN3AHIF1ABACE1
SCHEMBL18940306 0.90 FFAR1 (0.43) FFAR1ROCK1SCN3AHIF1ABACE1
SCHEMBL23927778 0.90 FFAR1 (0.43) FFAR1ROCK1SCN3AHIF1ABACE1
SCHEMBL15465576 0.88 FFAR1 (0.49) FFAR1ROCK1HIF1ABACE1BACE2
SCHEMBL15471368 0.88 FFAR1 (0.49) FFAR1ROCK1HIF1ABACE1BACE2
SCHEMBL29423893 0.86 FFAR1 (0.41) FFAR1
SCHEMBL16846002 0.86 FFAR1 (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3974413-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2022-03-30 EP disclosed