SCHEMBL29630720

SCHEMBL29630720

CC(C)[C@H](N)C(=O)N[C@@H](CO)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
ACE P12821 7/20 0.48
REN P00797 4/20 0.48
KDM4E B2RXH2 1/20 0.48
F2 P00734 1/20 0.48
LMNA P02545 1/20 0.48
LTA4H P09960 1/20 0.48
MAPT P10636 1/20 0.48
PEPD P12955 1/20 0.48
ALOX15 P16050 1/20 0.48
PTGS1 P23219 1/20 0.48
HTR2A P28223 1/20 0.48
PTGS2 P35354 1/20 0.48
HRH1 P35367 1/20 0.48
THPO P40225 1/20 0.48
PMP22 Q01453 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
CAPN1 P07384 2/20 0.45
XIAP P98170 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL30498898 0.93 CAPN1 (0.49) ACERENKDM4EF2LMNA
SCHEMBL5521222 0.93 CAPN1 (0.51) ACERENKDM4EF2LMNA
SCHEMBL5521229 0.93 CAPN1 (0.51) ACERENKDM4EF2LMNA
SCHEMBL30123097 0.89 ACE (0.49) ACERENKDM4EF2LMNA
SCHEMBL32681296 0.89 CAPN1 (0.55) ACERENCAPN1XIAP
SCHEMBL29894803 0.88 ACE (0.52) ACERENKDM4EF2LMNA
SCHEMBL29575481 0.87 XIAP (0.48) ACERENKDM4EF2LMNA
SCHEMBL30661449 0.87 ACE (0.47) ACERENKDM4EF2LMNA
SCHEMBL30661445 0.87 ACE (0.47) ACERENKDM4EF2LMNA
SCHEMBL31412187 0.87 ACE (0.59) ACERENKDM4EF2LMNA

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
US-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 US disclosed