SCHEMBL30968474

SCHEMBL30968474

CC(C)(C)OC(=O)N1CCNCC1c1cc(F)c2c(c1F)CCC(NC(=O)OCc1ccccc1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ACHE P22303 2/20 0.44
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
RORC P51449 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TLR4 O00206 1/20 0.37
GAA P10253 1/20 0.37
PARP1 P09874 1/20 0.37
KCNA3 P22001 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ABCB1 P08183 1/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 2/20 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
SCHEMBL30968455 0.81 CA1 (0.42) CA1CA2ACHECTSLCTSB
SCHEMBL30062004 0.80 ACHE (0.47) CA1CA2ACHECTSLCTSB
SCHEMBL20722620 0.80 ACHE (0.47) CA1CA2ACHECTSLCTSB
SCHEMBL30968489 0.80 CA1 (0.45) CA1CA2ACHECTSLCTSB
SCHEMBL30968564 0.79 CA1 (0.44) CA1CA2ACHECTSLCTSB
SCHEMBL30968546 0.78 PARP1 (0.38) PARP1MAPT
SCHEMBL21685901 0.78 CA1 (0.45) CA1CA2ACHECTSLCTSB
SCHEMBL30968530 0.77 CA1 (0.45) CA1CA2ACHECTSLCTSB
SCHEMBL30968458 0.77 CA1 (0.41) CA1CA2ACHECTSLCTSB
SCHEMBL21685816 0.74 CA1 (0.44) CA1CA2ACHECTSLCTSB

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