SCHEMBL30729296

SCHEMBL30729296

CC(C)C[C@@H](NC(=O)[C@H]1CCCN1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
DPP7 Q9UHL4 1/20 0.48
CTSC P53634 3/20 0.44
PRCP P42785 1/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
FOLH1 Q04609 6/20 0.41
REN P00797 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
SCHEMBL6373762 1.00 MEN1 (0.49) MEN1KMT2AALDH1A1LMNADPP7
SCHEMBL29578356 1.00 MEN1 (0.49) MEN1KMT2AALDH1A1LMNADPP7
SCHEMBL22295667 1.00 MEN1 (0.49) MEN1KMT2AALDH1A1LMNADPP7
SCHEMBL29876413 1.00 MEN1 (0.49) MEN1KMT2AALDH1A1LMNADPP7
SCHEMBL3041931 1.00 MEN1 (0.49) MEN1KMT2AALDH1A1LMNADPP7
Acetic Acid SCHEMBL30771284 0.97 ALDH1A1 (0.49) MEN1KMT2AALDH1A1LMNADPP7
SCHEMBL29762027 0.95 MEN1 (0.45) MEN1KMT2AALDH1A1LMNADPP7
SCHEMBL4998435 0.94 ALDH1A1 (0.46) MEN1KMT2AALDH1A1LMNADPP7
SCHEMBL31721020 0.91 MEN1 (0.43) MEN1KMT2AALDH1A1LMNADPP7
SCHEMBL30423293 0.91 MEN1 (0.43) MEN1KMT2AALDH1A1LMNADPP7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112041328-B Dipeptide and pharmaceutical composition containing the same 志瑞亚新药工业株式会社 2024-06-21 CN disclosed
JP-2024003144-A Pharmaceutical composition containing dipeptide ゼリア新薬工業株式会社 2024-01-11 JP disclosed