SCHEMBL29575481

SCHEMBL29575481

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.48
ACE P12821 7/20 0.47
REN P00797 4/20 0.47
KDM4E B2RXH2 1/20 0.47
F2 P00734 1/20 0.47
LMNA P02545 1/20 0.47
LTA4H P09960 1/20 0.47
MAPT P10636 1/20 0.47
PEPD P12955 1/20 0.47
ALOX15 P16050 1/20 0.47
PTGS1 P23219 1/20 0.47
HTR2A P28223 1/20 0.47
PTGS2 P35354 1/20 0.47
HRH1 P35367 1/20 0.47
THPO P40225 1/20 0.47
PMP22 Q01453 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
DPP4 P27487 5/20 0.46
FAP Q12884 2/20 0.46

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
SCHEMBL30051358 0.90 ACE (0.48) XIAPACERENKDM4EF2
SCHEMBL29722143 0.89 XIAP (0.51) XIAPACERENKDM4EF2
SCHEMBL30123097 0.88 ACE (0.49) ACERENKDM4EF2LMNA
SCHEMBL29630720 0.87 ACE (0.48) XIAPACERENKDM4EF2
SCHEMBL29350794 0.87 ACE (0.50) XIAPACERENKDM4EF2
SCHEMBL29723864 0.87 ACE (0.48) XIAPACERENKDM4EF2
SCHEMBL29894803 0.87 ACE (0.52) ACERENKDM4EF2LMNA
SCHEMBL30052522 0.86 ACE (0.45) XIAPACERENKDM4EF2
SCHEMBL30051744 0.86 XIAP (0.54) XIAPACERENKDM4EF2
SCHEMBL30051254 0.85 XIAP (0.53) XIAPACERENKDM4EF2

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
CN-114736271-A Synthesis method of Tirzepatide 杭州诺泰澳赛诺医药技术开发有限公司 2022-07-12 CN disclosed
US-11312974-B2 Gene for increasing plant biomass and use therefor KANEKA CORPORATION (JP) 2022-04-26 US disclosed