SCHEMBL31323656

SCHEMBL31323656

CC(C)(C)OC(=O)N1CC(O)CC(OCCCNC(=O)OCc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.55
MAPT P10636 2/20 0.47
KLK7 P49862 2/20 0.45
KLK5 Q9Y337 2/20 0.45
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HTT P42858 1/20 0.43
KEAP1 Q14145 3/20 0.43
NFE2L2 Q16236 3/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DPP8 Q6V1X1 2/20 0.42
DPP7 Q9UHL4 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DPP4 P27487 1/20 0.40
DPP9 Q86TI2 1/20 0.40
TGM2 P21980 1/20 0.40
ACE P12821 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
SCHEMBL29130086 0.90 ABCB1 (0.57) ABCB1MAPTKLK7KLK5ITGB3
SCHEMBL29617084 0.86 ABCB1 (0.53) ABCB1MAPTKLK7KLK5ITGB3
SCHEMBL25371879 0.82 ABCB1 (0.51) ABCB1MAPTKLK7KLK5ITGB3
SCHEMBL21248918 0.81 ABCB1 (0.53) ABCB1MAPTKLK7KLK5ITGB3
SCHEMBL30803525 0.80 HTT (0.48) ABCB1MAPTKLK7KLK5ITGB3
SCHEMBL30803543 0.80 HTT (0.48) ABCB1MAPTKLK7KLK5ITGB3
SCHEMBL30829529 0.79 ABCB1 (0.49) ABCB1MAPTKLK7KLK5ITGB3
SCHEMBL29991950 0.79 HTT (0.51) ABCB1MAPTHTTKEAP1NFE2L2
SCHEMBL25233266 0.79 HSD11B1 (0.50) ABCB1DPP7L3MBTL1KMT2ADPP4
SCHEMBL30397918 0.79 HSD11B1 (0.50) ABCB1DPP7L3MBTL1KMT2ADPP4

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
EP-4735452-A2 HETEROBIFUNCTIONAL COMPOUNDS FOR THE DEGRADATION OF KRAS PROTEIN Merck Patent GmbH (DE) 2026-05-06 EP disclosed
WO-2025006753-A2 HETEROBIFUNCTIONAL COMPOUNDS FOR THE DEGRADATION OF KRAS PROTEIN MERCK PATENT GMBH (DE) 2025-01-02 WO disclosed