SCHEMBL22014729

SCHEMBL22014729

CC(C)c1cc(CCC2CCOCC2)cc(C(C)C)c1CC(=O)N=C=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.33
MAPT P10636 1/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL22015042 0.82 DAO (0.36) DAOMAPTCNR2
SCHEMBL21962629 0.73 DAO (0.40) DAOCNR2
SCHEMBL22014353 0.70 DAO (0.39) DAOCNR2
SCHEMBL21962152 0.67 DAO (0.36) DAO
SCHEMBL16029079 0.64 TNKS2 (0.32)
SCHEMBL25067113 0.62 FFAR1 (0.37) CNR2
SCHEMBL20919052 0.60 THRA (0.40)
SCHEMBL28001408 0.59 MAOB (0.43) DAO
SCHEMBL23276912 0.59 THRA (0.43) DAO
SCHEMBL2252275 0.58 CYP4A11 (0.51) CNR2

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-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed