SCHEMBL20201628

SCHEMBL20201628

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PARP10 Q53GL7 1/20 0.39
SCN9A Q15858 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR6 P50406 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL20437918 0.99 PARP10 (0.41) ACACBPDE4APDE4BPDE4CPDE4D
SCHEMBL20376266 0.97 ACACB (0.41) ACACBPDE4APDE4BPDE4CPDE4D
SCHEMBL11951596 0.94 ACACB (0.45) ACACBPDE4APDE4BPDE4CPDE4D
SCHEMBL20204598 0.88 DUT (0.43) BCHEACHEL3MBTL1
SCHEMBL10289755 0.87 BCHE (0.43) PARP10BCHEACHEL3MBTL1
SCHEMBL25053730 0.85 DUT (0.43) PARP10
SCHEMBL13877384 0.82 ACACB (0.44) ACACBPDE4APDE4BPDE4CPDE4D
SCHEMBL879007 0.82 DUT (0.47) PDE4B
Hydrochloric Acid SCHEMBL4234257 0.81 ACACB (0.43) ACACBPDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL30806083 0.81 ACACB (0.43) ACACBPDE4APDE4BPDE4CPDE4D

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-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed