SCHEMBL30968437

SCHEMBL30968437

CC(C)(C)OC(=O)N1C2CCC1(c1ccc3c(c1)CCC(NC(=O)OCc1ccccc1)C3)CNC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
ACHE P22303 2/20 0.45
HDAC8 Q9BY41 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.35
TLR4 O00206 1/20 0.35
HSD11B1 P28845 1/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NTSR1 P30989 1/20 0.35
MEN1 O00255 2/20 0.34
POLB P06746 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
SCHEMBL30968404 0.89 CA1 (0.43) CA1CA2ACHEHDAC8CTSL
SCHEMBL30968458 0.83 CA1 (0.41) CA1CA2ACHECTSLCTSB
SCHEMBL30968476 0.82 CA1 (0.41) CA1CA2ACHEHDAC8CTSL
SCHEMBL30968528 0.81 CA1 (0.40) CA1CA2ACHECTSLCTSB
SCHEMBL30968419 0.79 OPRK1 (0.36) ACHE
SCHEMBL30059971 0.74 CA1 (0.49) CA1CA2ACHEHDAC8CTSL
SCHEMBL20722755 0.74 CA1 (0.49) CA1CA2ACHEHDAC8CTSL
SCHEMBL30089090 0.74 HTR2C (0.43) CTSLCTSBALDH1A1KMT2AL3MBTL1
SCHEMBL9490334 0.70 CA1 (0.73) CA1CA2ACHEHDAC8CTSL
SCHEMBL30968555 0.70 KDM1A (0.31)

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