SCHEMBL29956316

SCHEMBL29956316

CC(C)(C)OC(=O)Nc1c(F)cccc1B(O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.43
SYK P43405 1/20 0.40
ATR Q13535 1/20 0.39
LCK P06239 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 2/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
CYP17A1 P05093 1/20 0.36

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
SCHEMBL1006953 1.00 NLRP3 (0.43) NLRP3SYKATRLCKALDH1A1
SCHEMBL1610508 0.88 NLRP3 (0.53) NLRP3SYKATRLCKALDH1A1
SCHEMBL3780741 0.84 RXFP1 (0.43) ATRLCKRXFP1LMNAPOLB
SCHEMBL5349934 0.82 LCK (0.51) NLRP3SYKATRLCK
SCHEMBL31167626 0.82 LCK (0.51) NLRP3SYKATRLCK
SCHEMBL29954566 0.81 ERN1 (0.42) NLRP3SYKATRLCKALDH1A1
SCHEMBL2968874 0.81 ERN1 (0.42) NLRP3SYKATRLCKALDH1A1
SCHEMBL1677060 0.81 ENPP2 (0.45) ATRLCKALDH1A1GAA
SCHEMBL23054108 0.81 HTT (0.45) NLRP3SYKATRLCKALDH1A1
SCHEMBL29741502 0.81 HDAC1 (0.51) NLRP3SYKATRLCKALDH1A1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed