SCHEMBL28298317

SCHEMBL28298317

CC(=O)[C@H]1CCCN(OC(=O)C(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.32
ENO1 P06733 1/20 0.32
HSD17B10 Q99714 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL27935423 0.92 HPGD (0.34) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL27950765 0.92 HPGD (0.34) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL28824422 0.86 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL27789516 0.83 ALDH1A1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL27941707 0.83 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTENO1
SCHEMBL27890346 0.83
SCHEMBL27643661 0.81 HPGD (0.36) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL18166955 0.80 CHRM2 (0.33) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL27698740 0.80 ALDH1A1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL28787824 0.79 LMNA (0.33) MEN1KMT2AALDH1A1MAPTENO1

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-107001271-B Hydroxyamidine derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2019-05-10 CN disclosed