SCHEMBL30839243

SCHEMBL30839243

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.34
▸ GLI1 P08151 1/20 0.33
▸ MME P08473 2/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ FASN P49327 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL30128341 0.82 DPP4 (0.32) DPP4GLI1
SCHEMBL18869691 0.82 DPP4 (0.32) DPP4GLI1
SCHEMBL18869692 0.82 DPP4 (0.32) DPP4GLI1
SCHEMBL329706 0.82 DPP4 (0.32) DPP4GLI1
SCHEMBL17323142 0.82 DPP4 (0.32) DPP4GLI1
SCHEMBL21545609 0.78 GLI1 (0.41) DPP4GLI1MMEBCHEALDH1A1
SCHEMBL197080 0.78 — —
SCHEMBL4632505 0.76 MME (0.33) DPP4GLI1MMEFASN
SCHEMBL4632507 0.76 MME (0.33) DPP4GLI1MMEFASN
SCHEMBL13841189 0.76 DPP4 (0.35) DPP4GLI1MMEBCHEALDH1A1

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-117820213-A Preparation method of quality analysis reference substance for Ai Duosha class toluenesulfonic acid 湖南方盛制药股份有限公司 2024-04-05 — — CN disclosed
Send feedback