SCHEMBL22365266

SCHEMBL22365266

COC(=O)C(C)Cc1cccc(OCC2CC2Cc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 7/20 0.58
▸ FFAR4 Q5NUL3 1/20 0.41
▸ SCN3A Q9NY46 1/20 0.39
▸ ADAM17 P78536 1/20 0.39
▸ MME P08473 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ CPA1 P15085 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39
▸ EPOR P19235 1/20 0.38
▸ PTGES O14684 1/20 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
SCHEMBL22365322 0.90 FFAR1 (0.64) FFAR1FFAR4MMEACECPA1
SCHEMBL22365404 0.86 FFAR1 (0.56) FFAR1SCN3A
SCHEMBL22365350 0.82 FFAR1 (0.56) FFAR1
SCHEMBL22365237 0.82 ACACA (0.50) —
SCHEMBL22365454 0.81 FFAR1 (0.42) FFAR1
SCHEMBL22365447 0.81 GPR88 (0.43) FFAR1
SCHEMBL22365453 0.80 FFAR1 (0.60) FFAR1ADAM17MMEACECPA1
SCHEMBL22365347 0.80 FFAR1 (0.58) FFAR1SCN3A
SCHEMBL22365407 0.80 FFAR1 (0.43) FFAR1
SCHEMBL17000407 0.80 FFAR1 (0.84) 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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