SCHEMBL22365454

SCHEMBL22365454

COC(=O)C(C)Cc1cccc(OCC2CC(O)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 10/20 0.42
▸ ACACA Q13085 4/20 0.40
▸ ACACB O00763 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.38

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
SCHEMBL22365447 0.91 GPR88 (0.43) FFAR1ACACAACACBALDH1A1TAAR1
SCHEMBL22365407 0.90 FFAR1 (0.43) FFAR1ACACAACACBTAAR1
SCHEMBL22365237 0.89 ACACA (0.50) ACACAACACB
SCHEMBL22365350 0.87 FFAR1 (0.56) FFAR1
SCHEMBL22365452 0.86 ALDH1A1 (0.41) FFAR1ACACAACACBALDH1A1TAAR1
SCHEMBL22365453 0.85 FFAR1 (0.60) FFAR1ACACB
SCHEMBL22365291 0.85 FFAR1 (0.58) FFAR1ALDH1A1TAAR1
SCHEMBL22365225 0.85 FFAR1 (0.58) FFAR1
SCHEMBL22365317 0.82 SLC6A2 (0.48) ACACAACACB
SCHEMBL22365266 0.81 FFAR1 (0.58) 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
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