SCHEMBL22015042

SCHEMBL22015042

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.36
RORC P51449 1/20 0.35
MAPT P10636 1/20 0.34
CNR2 P34972 10/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CNR1 P21554 1/20 0.31
CCR2 P41597 1/20 0.31
HTR4 Q13639 1/20 0.31

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
SCHEMBL22014353 0.87 DAO (0.39) DAOCNR2
SCHEMBL22014729 0.82 DAO (0.33) DAOMAPTCNR2
SCHEMBL21962629 0.78 DAO (0.40) DAOCNR2
SCHEMBL20938130 0.74 PRMT5 (0.34) CNR2IRAK4CNR1
SCHEMBL21962152 0.71 DAO (0.36) DAO
SCHEMBL6761331 0.68 CA2 (0.39)
SCHEMBL20698837 0.68 CA2 (0.34)
SCHEMBL25138891 0.68 FABP3 (0.38)
SCHEMBL20699080 0.68 NLRP3 (0.37) CNR2CNR1
SCHEMBL20698736 0.67 NLRP3 (0.40)

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