SCHEMBL30433645

SCHEMBL30433645

CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)Nc1cccs1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
BACE1 P56817 4/20 0.43
CA2 P00918 1/20 0.41
TRPA1 O75762 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
PSENEN Q9NZ42 1/20 0.40

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
SCHEMBL29027824 0.80 CTSS (0.44) MEN1KMT2ACTSSCTSKBACE1
SCHEMBL29027813 0.80 CTSS (0.44) MEN1KMT2ACTSSCTSKBACE1
SCHEMBL24343449 0.80 CTSS (0.44) MEN1KMT2ACTSSCTSKBACE1
SCHEMBL399012 0.77 GAA (0.50) MEN1KMT2AGAAHSD17B10KDM4E
SCHEMBL22501367 0.76 MEN1 (0.53) MEN1KMT2ACTSSCTSKBACE1
SCHEMBL26347288 0.75 MEN1 (0.52) MEN1KMT2ACTSSCTSKBACE1
SCHEMBL31045240 0.75 BACE1 (0.47) MEN1KMT2ACTSSCTSKBACE1
SCHEMBL22815478 0.74 MEN1 (0.56) MEN1KMT2ACTSSCTSKBACE1
SCHEMBL19277932 0.74 MEN1 (0.56) MEN1KMT2ACTSSCTSKBACE1
SCHEMBL19391315 0.74 MEN1 (0.56) MEN1KMT2ACTSSCTSKBACE1

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-116209476-A Antifolate linker-drug and antibody-drug conjugates 拜奥迪斯私人有限公司 2023-06-02 CN disclosed