SCHEMBL20204598

SCHEMBL20204598

CC(C)c1ccc(F)c(OCC2CCCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DUT P33316 9/20 0.43
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL10289755 0.99 BCHE (0.43) DUTBCHEACHEL3MBTL1
SCHEMBL25053730 0.97 DUT (0.43) DUT
SCHEMBL879007 0.94 DUT (0.47) DUT
SCHEMBL20201628 0.88 ACACB (0.41) BCHEACHEL3MBTL1
SCHEMBL20437918 0.87 PARP10 (0.41) BCHEACHEL3MBTL1
SCHEMBL20376266 0.85 ACACB (0.41)
SCHEMBL21325504 0.84 DUT (0.40) DUT
SCHEMBL23052632 0.83 DUT (0.42) DUTL3MBTL1
SCHEMBL12630849 0.82 DUT (0.45) DUT
SCHEMBL1409345 0.82 DUT (0.45) DUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018128720-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-07-12 WO disclosed
WO-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed