SCHEMBL17000404

SCHEMBL17000404

COc1cccc(C2CCC(COc3cccc([C@H](O)[C@H](C)C(=O)O)c3)C2)c1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 20/20 0.80

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
SCHEMBL17000428 0.91 FFAR1 (0.70) FFAR1
SCHEMBL18239206 0.89 FFAR1 (1.00) FFAR1
SCHEMBL22360956 0.89 FFAR1 (1.00) FFAR1
SCHEMBL16993576 0.89 FFAR1 (1.00) FFAR1
SCHEMBL18222719 0.89 FFAR1 (1.00) FFAR1
SCHEMBL22365469 0.83 FFAR1 (1.00) FFAR1
SCHEMBL16993577 0.83 FFAR1 (1.00) FFAR1
SCHEMBL18239252 0.82 FFAR1 (0.85) FFAR1
SCHEMBL18234821 0.79 FFAR1 (0.83) FFAR1
SCHEMBL11468549 0.77 L3MBTL1 (0.54)

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
WO-2015119899-A1 ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-08-13 WO disclosed