SCHEMBL4085382

SCHEMBL4085382

CC(CN1C(=O)c2ccccc2C1=O)C(O)c1cccc(OCC2CCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.41
FFAR1 O14842 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
GRM2 Q14416 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40

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
SCHEMBL2209619 1.00 DUT (0.41) DUTFFAR1L3MBTL1MAOAMAOB
SCHEMBL17024422 0.99 DUT (0.42) DUTFFAR1L3MBTL1GRM2
SCHEMBL2205493 0.99 DUT (0.42) DUTFFAR1L3MBTL1GRM2
SCHEMBL2235448 0.88 MAOA (0.39) DUTFFAR1MAOAMAOBPRMT5
SCHEMBL2235433 0.88 MAOA (0.39) DUTFFAR1MAOAMAOBPRMT5
SCHEMBL2235442 0.88 MAOA (0.39) DUTFFAR1MAOAMAOBPRMT5
SCHEMBL2207489 0.85 DUT (0.41) DUTFFAR1L3MBTL1MAOAMAOB
SCHEMBL21100523 0.84 DUT (0.40) DUTFFAR1MAOAMAOB
SCHEMBL4423217 0.84 SIRT2 (0.39) DUTFFAR1L3MBTL1MAOAMAOB
SCHEMBL2207890 0.84 PDE4B (0.43) FFAR1GRM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091955-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT Acucela, Inc. (US) 2009-08-26 EP disclosed
WO-2009045479-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2009-04-09 WO disclosed