SCHEMBL20463237

SCHEMBL20463237

CCC(CC)c1cccc(O/C(C)=C/C(=O)OC)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.42
MTNR1B P49286 6/20 0.42
ACHE P22303 4/20 0.40
BCHE P06276 3/20 0.40
FAAH O00519 1/20 0.40
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MARK4 Q96L34 1/20 0.36
AOC3 Q16853 1/20 0.35

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
SCHEMBL20463239 0.85 MTNR1A (0.39) MTNR1AMTNR1BACHEBCHEFAAH
SCHEMBL30519844 0.76 ACHE (0.62) MTNR1AMTNR1BACHEBCHEFAAH
SCHEMBL5933894 0.76 ACHE (0.62) MTNR1AMTNR1BACHEBCHEFAAH
SCHEMBL1067886 0.74 MGLL (0.47)
SCHEMBL1067883 0.74 MGLL (0.47)
SCHEMBL1067887 0.74 MGLL (0.47)
SCHEMBL18713611 0.72 ACHE (0.43) MTNR1AMTNR1BACHEBCHEFAAH
SCHEMBL29110950 0.72 L3MBTL1 (0.56) MTNR1AMTNR1BL3MBTL1AOC3
SCHEMBL13814395 0.71 AOC3 (0.51) MTNR1AMTNR1BACHEL3MBTL1AOC3
SCHEMBL1064148 0.71 ALDH1A1 (0.48) MTNR1AMTNR1BL3MBTL1

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-2018144649-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME Arvinas, Inc. (US) 2018-08-09 WO disclosed