SCHEMBL29045302

SCHEMBL29045302

CC(=O)C(C(=O)O)C(NC(=O)OC(C)(C)C)C1CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.43
CTSS P25774 5/20 0.38
CTSK P43235 5/20 0.38
KMT2A Q03164 3/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GAA P10253 2/20 0.37
EPHX1 P07099 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
MEN1 O00255 1/20 0.34
PPARA Q07869 2/20 0.33
PPARG P37231 1/20 0.33
IDO1 P14902 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
SCHEMBL29413709 0.89 BTK (0.40) BTKCTSSCTSKKMT2AHDAC4
SCHEMBL8286493 0.82 BTK (0.46) BTKCTSSCTSKKMT2AHDAC4
SCHEMBL5848683 0.79 CTSK (0.42) BTKCTSSCTSKKMT2AHDAC4
SCHEMBL6477906 0.78 CTSK (0.44) BTKCTSSCTSKKMT2AHDAC4
SCHEMBL1294357 0.77 BTK (0.49) BTKCTSSCTSKKMT2AHDAC4
SCHEMBL8281707 0.77 BTK (0.49) BTKCTSSCTSKKMT2AHDAC4
SCHEMBL27141290 0.77 BTK (0.49) BTKCTSSCTSKKMT2AHDAC4
SCHEMBL8554341 0.76 CTSK (0.41) BTKCTSSCTSKKMT2AGAA
SCHEMBL14011490 0.76 GAA (0.47) BTKCTSSCTSKKMT2AHDAC4
SCHEMBL8288558 0.75 BTK (0.41) BTKCTSSCTSKKMT2AHDAC4

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-116547287-A Inhibitors of APOL1 and methods of use thereof 弗特克斯药品有限公司 2023-08-04 CN disclosed