SCHEMBL22011027

SCHEMBL22011027

Cc1c2c(cc3c1CC[C@H]3O)CCC2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.49
NLRP3 Q96P20 5/20 0.41
ELAVL1 Q15717 1/20 0.35
MAPT P10636 1/20 0.33
PGR P06401 2/20 0.32
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 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
SCHEMBL25033144 1.00 UGT2B17 (0.49) UGT2B17NLRP3ELAVL1MAPTPGR
SCHEMBL22010660 1.00 UGT2B17 (0.49) UGT2B17NLRP3ELAVL1MAPTPGR
SCHEMBL22011164 0.79 UGT2B17 (0.41) UGT2B17NLRP3
SCHEMBL20681026 0.79 UGT2B17 (0.41) UGT2B17NLRP3
SCHEMBL25033139 0.79 NLRP3 (0.43) UGT2B17NLRP3
SCHEMBL22002719 0.79 UGT2B17 (0.41) UGT2B17NLRP3MAPTLMNASLC5A1
SCHEMBL24960215 0.79 UGT2B17 (0.41) UGT2B17NLRP3MAPTLMNASLC5A1
SCHEMBL22002766 0.79 UGT2B17 (0.41) UGT2B17NLRP3MAPTLMNASLC5A1
SCHEMBL21893592 0.79 UGT2B17 (0.41) UGT2B17NLRP3
SCHEMBL21892906 0.79 UGT2B17 (0.41) UGT2B17NLRP3

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-2020102098-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed