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Sugi Predict / Compounds / SCHEMBL29619670

SCHEMBL29619670

SCHEMBL29619670

NC(Cc1cc(F)c(F)cc1F)[C@H](C(=O)OCc1ccccc1)c1cc(F)c(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 15/20 0.49
▸ LTA4H P09960 2/20 0.44
▸ LAP3 P28838 1/20 0.44
▸ CYP3A4 P08684 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ DPP7 Q9UHL4 5/20 0.39
▸ DPP8 Q6V1X1 4/20 0.39
▸ DPP9 Q86TI2 3/20 0.38

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
SCHEMBL29619666 0.81 DPP4 (0.49) DPP4DPP7DPP9
SCHEMBL29619675 0.79 DPP4 (0.50) DPP4DPP7DPP8DPP9
SCHEMBL11232982 0.78 DPP4 (0.51) DPP4LTA4HLAP3CYP3A4ALDH1A1
SCHEMBL28032955 0.78 DPP4 (0.51) DPP4LTA4HLAP3CYP3A4ALDH1A1
SCHEMBL27943329 0.78 DPP4 (0.51) DPP4LTA4HLAP3CYP3A4ALDH1A1
SCHEMBL19500635 0.77 DPP4 (0.62) DPP4CYP3A4DPP7DPP8DPP9
SCHEMBL19500639 0.77 DPP4 (0.62) DPP4CYP3A4DPP7DPP8DPP9
SCHEMBL28284788 0.73 DPP4 (0.41) DPP4LTA4HLAP3ALDH1A1
SCHEMBL28032950 0.73 DPP4 (0.41) DPP4LTA4HLAP3ALDH1A1
SCHEMBL14550107 0.73 DPP4 (0.50) DPP4CYP3A4ALDH1A1DPP7DPP8

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
WO-2022088528-A1 TRANSAMINASE MUTANT AND USE THEREOF IN PREPARATION OF SITAGLIPTIN INTERMEDIATE 浙江永太科技股份有限公司 2022-05-05 — — WO disclosed