SCHEMBL30552158

SCHEMBL30552158

CCOC(=O)[C@@H](N)[C@H](C)CC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.44
DPP8 Q6V1X1 7/20 0.44
DPP9 Q86TI2 7/20 0.44
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 2/20 0.40
DPP7 Q9UHL4 6/20 0.40
IARS1 P41252 2/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL199059 1.00 DPP4 (0.44) DPP4DPP8DPP9ALOX15ALDH1A1
SCHEMBL20902879 1.00 DPP4 (0.44) DPP4DPP8DPP9ALOX15ALDH1A1
SCHEMBL28599405 1.00 DPP4 (0.44) DPP4DPP8DPP9ALOX15ALDH1A1
SCHEMBL29087496 1.00 DPP4 (0.44) DPP4DPP8DPP9ALOX15ALDH1A1
SCHEMBL1685517 1.00 DPP4 (0.44) DPP4DPP8DPP9ALOX15ALDH1A1
SCHEMBL13482942 1.00 DPP4 (0.44) DPP4DPP8DPP9ALOX15ALDH1A1
SCHEMBL199058 1.00 DPP4 (0.44) DPP4DPP8DPP9ALOX15ALDH1A1
Hydrochloric Acid SCHEMBL2777940 0.98 DPP4 (0.43) DPP4DPP8DPP9ALOX15ALDH1A1
Hydrochloric Acid SCHEMBL29087500 0.98 DPP4 (0.43) DPP4DPP8DPP9ALOX15ALDH1A1
Hydrochloric Acid SCHEMBL4277313 0.98 DPP4 (0.43) DPP4DPP8DPP9ALOX15ALDH1A1

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-116854605-A Method for synthesizing L-allo-isoleucine 康化(上海)新药研发有限公司 2023-10-10 CN claimed
CN-116854605-A Method for synthesizing L-allo-isoleucine 康化(上海)新药研发有限公司 2023-10-10 CN disclosed