SCHEMBL31432063

SCHEMBL31432063

CC(C)COc1cc(CNC(=O)OC(C)(C)C)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GRM2 Q14416 1/20 0.42
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AAK1 Q2M2I8 6/20 0.41
EP300 Q09472 2/20 0.41
NAMPT P43490 1/20 0.39

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
SCHEMBL31432332 0.88 HDAC1 (0.42) HDAC1L3MBTL1GRM2MAPTRECQL
SCHEMBL31432436 0.87 NPSR1 (0.43) HDAC1L3MBTL1GRM2MAPTRECQL
SCHEMBL31432271 0.86 HDAC1 (0.46) HDAC1L3MBTL1GRM2MAPTNAMPT
SCHEMBL31432272 0.86 HDAC1 (0.46) HDAC1L3MBTL1GRM2MAPTNAMPT
SCHEMBL31431382 0.85 GRM2 (0.44) HDAC1L3MBTL1GRM2MAPTRECQL
SCHEMBL31432112 0.84 HDAC1 (0.44) HDAC1L3MBTL1GRM2NAMPT
SCHEMBL7549497 0.84 HDAC1 (0.44) HDAC1L3MBTL1GRM2MAPTRECQL
SCHEMBL31431712 0.84 CTSK (0.43) HDAC1L3MBTL1GRM2
SCHEMBL5718761 0.84 ALDH1A1 (0.51) HDAC1L3MBTL1GRM2NAMPT
SCHEMBL31431852 0.83 HDAC1 (0.46) HDAC1L3MBTL1GRM2

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
WO-2025049326-A1 TRICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 BIOCRYST PHARMACEUTICALS, INC. (US) 2025-03-06 WO disclosed