SCHEMBL22360956

SCHEMBL22360956

COc1cccc([C@H]2CC[C@@H](COc3cccc(C(C4CC4)C(C)C(=O)O)c3)C2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 20/20 1.00

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
SCHEMBL18222719 1.00 FFAR1 (1.00) FFAR1
SCHEMBL18239206 1.00 FFAR1 (1.00) FFAR1
SCHEMBL16993576 1.00 FFAR1 (1.00) FFAR1
SCHEMBL22365469 0.94 FFAR1 (1.00) FFAR1
SCHEMBL16993577 0.94 FFAR1 (1.00) FFAR1
SCHEMBL18239252 0.92 FFAR1 (0.85) FFAR1
SCHEMBL18234821 0.91 FFAR1 (0.83) FFAR1
SCHEMBL17000404 0.89 FFAR1 (0.80) FFAR1
SCHEMBL17000412 0.86 FFAR1 (1.00) FFAR1
SCHEMBL16993541 0.86 FFAR1 (1.00) 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-3102198-B1 ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-08-26 EP disclosed