SCHEMBL29286223

SCHEMBL29286223

CC(C)(C)OC(=O)CC(N)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.52
REN P00797 4/20 0.52
LMNA P02545 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
F2 P00734 1/20 0.49
LTA4H P09960 1/20 0.49
MAPT P10636 1/20 0.49
PEPD P12955 1/20 0.49
ALOX15 P16050 1/20 0.49
PTGS1 P23219 1/20 0.49
HTR2A P28223 1/20 0.49
PTGS2 P35354 1/20 0.49
HRH1 P35367 1/20 0.49
THPO P40225 1/20 0.49
PMP22 Q01453 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.45
DPP4 P27487 1/20 0.44

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
SCHEMBL29286222 1.00 ACE (0.52) ACERENLMNAHSD17B10KDM4E
SCHEMBL31290543 0.82 XIAP (0.53)
SCHEMBL31072125 0.81 FKBP1A (0.54) ACE
SCHEMBL25132999 0.81 FKBP1A (0.54) ACE
SCHEMBL31365829 0.81 FKBP1A (0.54) ACE
SCHEMBL23795534 0.81 ACE (0.55) ACERENLMNAHSD17B10KDM4E
SCHEMBL28611939 0.81 ACE (0.55) ACERENLMNAHSD17B10KDM4E
SCHEMBL23795536 0.81 ACE (0.55) ACERENLMNAHSD17B10KDM4E
SCHEMBL757253 0.81 ACE (0.68) ACERENLMNAHSD17B10KDM4E
SCHEMBL757254 0.81 ACE (0.68) ACERENLMNAHSD17B10KDM4E

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-118354796-A Compounds, pharmaceutical compositions and methods for treating, preventing or managing hyperproliferative disorders 文赛克斯制药有限责任公司 2024-07-16 CN disclosed