SCHEMBL30968458

SCHEMBL30968458

CC(C)(C)OC(=O)N1C2CCC1(c1cc(F)c3c(c1F)CCC(NC(=O)OCc1ccccc1)C3)CNC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ACHE P22303 2/20 0.41
RORC P51449 3/20 0.37
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
DPP4 P27487 4/20 0.35
DPP7 Q9UHL4 4/20 0.35
KCNH2 Q12809 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PARP1 P09874 1/20 0.35
TSHR P16473 1/20 0.34
TLR4 O00206 1/20 0.34
HSD11B1 P28845 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL30968476 0.93 CA1 (0.41) CA1CA2ACHERORCCTSL
SCHEMBL30968528 0.92 CA1 (0.40) CA1CA2ACHERORCCTSL
SCHEMBL30968404 0.87 CA1 (0.43) CA1CA2ACHERORCCTSL
SCHEMBL30968437 0.83 CA1 (0.45) CA1CA2ACHERORCCTSL
SCHEMBL30968556 0.79 DPP4 (0.32) DPP4KDM1A
SCHEMBL30968408 0.79 HRH3 (0.33) DPP4PARP1
SCHEMBL30062004 0.78 ACHE (0.47) CA1CA2ACHERORCCTSL
SCHEMBL20722620 0.78 ACHE (0.47) CA1CA2ACHERORCCTSL
SCHEMBL30968530 0.78 CA1 (0.45) CA1CA2ACHERORCCTSL
SCHEMBL30968474 0.77 CA1 (0.44) CA1CA2ACHERORCCTSL

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
CN-112867712-B Carboxamide as ubiquitin-specific protease inhibitor 瓦洛早期发现股份有限公司 2024-07-16 CN disclosed