SCHEMBL30488591

SCHEMBL30488591

CCOCOc1cc(C=O)ccc1-c1nnc(NC2CCCN(C(=O)OC(C)(C)C)C2)cc1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.37
NLRP3 Q96P20 4/20 0.36
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
ANO1 Q5XXA6 1/20 0.35
PIM1 P11309 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
BRD4 O60885 1/20 0.34
AHCY P23526 1/20 0.34
BTK Q06187 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TYK2 P29597 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL29030472 1.00 USP30 (0.37) USP30NLRP3ALOX5APFEN1JAK2
SCHEMBL29030471 1.00 USP30 (0.37) USP30NLRP3ALOX5APFEN1JAK2
SCHEMBL30488526 1.00 USP30 (0.37) USP30NLRP3ALOX5APFEN1JAK2
SCHEMBL30893678 0.92 NLRP3 (0.45) USP30NLRP3PIM1PIM2BRD4
SCHEMBL30834021 0.92 NLRP3 (0.45) USP30NLRP3PIM1PIM2BRD4
SCHEMBL30834020 0.90 IL1B (0.44) USP30NLRP3JAK2JAK1PIM1
SCHEMBL30833922 0.90 IL1B (0.44) USP30NLRP3JAK2JAK1PIM1
SCHEMBL30488499 0.89 NLRP3 (0.38) USP30NLRP3ALOX5APFEN1JAK2
SCHEMBL29030561 0.89 NLRP3 (0.38) USP30NLRP3ALOX5APFEN1JAK2
SCHEMBL29030563 0.89 NLRP3 (0.38) USP30NLRP3ALOX5APFEN1JAK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119798221-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2025-04-11 CN disclosed
CN-116410140-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2023-07-11 CN disclosed