SCHEMBL22365291

SCHEMBL22365291

COC(=O)C(C)Cc1cccc(OCC2CC(c3cccc(OC)c3)C2)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 13/20 0.58
▸ CACNA1F O60840 1/20 0.42
▸ CACNA1D Q01668 1/20 0.42
▸ CACNA1S Q13698 1/20 0.42
▸ CACNA1C Q13936 1/20 0.42
▸ TAAR1 Q96RJ0 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL22365412 0.93 FFAR1 (0.61) FFAR1
SCHEMBL22365350 0.92 FFAR1 (0.56) FFAR1
SCHEMBL22365470 0.91 FFAR1 (0.64) FFAR1
SCHEMBL22365355 0.88 FFAR1 (0.60) FFAR1
SCHEMBL22365347 0.86 FFAR1 (0.58) FFAR1
SCHEMBL22365225 0.86 FFAR1 (0.58) FFAR1
SCHEMBL22365457 0.85 FFAR1 (0.52) FFAR1
SCHEMBL22365447 0.85 GPR88 (0.43) FFAR1TAAR1ALDH1A1
SCHEMBL22365454 0.85 FFAR1 (0.42) FFAR1TAAR1ALDH1A1
SCHEMBL22365407 0.84 FFAR1 (0.43) FFAR1TAAR1

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
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