SCHEMBL8965707

SCHEMBL8965707

CC1(OO)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
ATM Q13315 2/20 0.39
MCL1 Q07820 1/20 0.39
CES2 O00748 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
CES1 P23141 1/20 0.32
MPI P34949 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL2600486 0.76 POLB (0.40) POLBGPR55ALDH1A1MAPTATM
SCHEMBL7213737 0.76 POLB (0.55) POLBGPR55ALDH1A1MAPTATM
SCHEMBL13886742 0.75 POLB (0.53) POLBGPR55ALDH1A1MAPTATM
SCHEMBL1357466 0.71 POLB (0.46) POLBGPR55ALDH1A1MAPTATM
SCHEMBL1683958 0.71 ALDH1A1 (0.34) ALDH1A1MAPT
SCHEMBL10605084 0.68 POLB (0.43) POLBGPR55ALDH1A1MAPTATM
SCHEMBL3185251 0.67 POLB (0.42) POLBGPR55ALDH1A1MAPTATM
SCHEMBL9861297 0.67 POLB (0.50) POLBGPR55ALDH1A1MAPTATM
SCHEMBL19625966 0.65 POLB (0.41) POLBGPR55ALDH1A1MAPTATM
SCHEMBL16341374 0.65 POLB (0.44) POLBGPR55ALDH1A1MAPTATM

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
US-5482518-A FUEL ADDITIVES EXXON RESEARCH AND ENGINEERING COMPANY (US) 1996-01-09 US disclosed