SCHEMBL22014353

SCHEMBL22014353

CC(C)c1cc(CCC2CCCCC2)cc(C(C)C)c1CC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.39
PLA2G2A P14555 2/20 0.37
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CNR2 P34972 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TBK1 Q9UHD2 1/20 0.32
EPHX1 P07099 1/20 0.32
EPHX2 P34913 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 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
SCHEMBL21962629 0.88 DAO (0.40) DAOPDGFRBPDGFRAMEN1KMT2A
SCHEMBL22015042 0.87 DAO (0.36) DAOCNR2
SCHEMBL21962152 0.83 DAO (0.36) DAOPDGFRBPDGFRAMEN1KMT2A
SCHEMBL20919052 0.74 THRA (0.40) L3MBTL1NPC1RAB9AEPHX1EPHX2
SCHEMBL22014946 0.73 FFAR1 (0.40) PLA2G2APDGFRBPDGFRA
SCHEMBL22014729 0.70 DAO (0.33) DAOCNR2
SCHEMBL6761331 0.70 CA2 (0.39) PLA2G2A
SCHEMBL20698837 0.70 CA2 (0.34) PLA2G2ATHRB
SCHEMBL20698736 0.69 NLRP3 (0.40)
SCHEMBL25138891 0.66 FABP3 (0.38)

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