SCHEMBL20463239

SCHEMBL20463239

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.39
MTNR1B P49286 5/20 0.39
ACHE P22303 3/20 0.38
BCHE P06276 2/20 0.38
FAAH O00519 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL20463237 0.85 MTNR1A (0.42) MTNR1AMTNR1BACHEBCHEFAAH
SCHEMBL2701465 0.79 GSK3B (0.46)
SCHEMBL1068246 0.79 GSK3B (0.46)
SCHEMBL2701471 0.79 GSK3B (0.46)
SCHEMBL1066400 0.74 ALDH1A1 (0.45) MTNR1AMTNR1BL3MBTL1CYP1A2MAPT
SCHEMBL1066397 0.74 ALDH1A1 (0.45) MTNR1AMTNR1BL3MBTL1CYP1A2MAPT
SCHEMBL1066395 0.74 ALDH1A1 (0.45) MTNR1AMTNR1BL3MBTL1CYP1A2MAPT
SCHEMBL5933894 0.74 ACHE (0.62) MTNR1AMTNR1BACHEBCHEFAAH
SCHEMBL30519844 0.74 ACHE (0.62) MTNR1AMTNR1BACHEBCHEFAAH
SCHEMBL1068138 0.73 LMNA (0.49) BCHEL3MBTL1GAAMAPTTDP1

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