SCHEMBL28776898

SCHEMBL28776898

CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C#N

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 7/20 0.36
▸ AR P10275 1/20 0.34
▸ CTSK P43235 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ FAP Q12884 1/20 0.32
▸ USP2 O75604 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5120279 0.87 HSD17B10 (0.33) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL30861987 0.87 HSD17B10 (0.33) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL31234561 0.87 HSD17B10 (0.33) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL5183988 0.87 HSD17B10 (0.33) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL22367426 0.85 DPP4 (0.39) DPP4FAP
SCHEMBL17180203 0.82 UCHL1 (0.39) DPP4ARCTSKMEN1ALDH1A1
SCHEMBL17180202 0.82 UCHL1 (0.39) DPP4ARCTSKMEN1ALDH1A1
SCHEMBL4300617 0.82 UCHL1 (0.37) ALDH1A1NR1H2CHRM2CHRM1CHRM3
SCHEMBL4300613 0.82 UCHL1 (0.37) ALDH1A1NR1H2CHRM2CHRM1CHRM3
SCHEMBL2080406 0.81 ALDH1A1 (0.36) ARCTSKMEN1ALDH1A1MAPT

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-108794422-B Heterocyclic compounds as PD-L1 inhibitors 南京圣和药业股份有限公司 2022-07-01 — — CN disclosed
Send feedback