SCHEMBL30235083

SCHEMBL30235083

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 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
OPRK1 P41145 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL30661443 0.93 ACE (0.49) ACERENKDM4EF2LMNA
SCHEMBL38665570 0.91 ACE (0.45) ACERENKDM4EF2LMNA
SCHEMBL30051550 0.91 ACE (0.51) ACERENKDM4EF2LMNA
SCHEMBL31518678 0.90 CAPN1 (0.45) ACERENKDM4EF2LMNA
SCHEMBL6559375 0.89 ACE (0.54) ACERENKDM4EF2LMNA
SCHEMBL2549572 0.89 ACE (0.54) ACERENKDM4EF2LMNA
SCHEMBL29421107 0.89 ACE (0.45) ACERENKDM4EF2LMNA
SCHEMBL30446492 0.89 ACE (0.56) ACERENKDM4EF2LMNA
SCHEMBL29512282 0.88 CAPN1 (0.51) ACERENKDM4EF2LMNA
SCHEMBL31232524 0.87 CAPN1 (0.46) RENMEN1KMT2A

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-112585510-B Polarizing plate and display device 株式会社LG化学 2022-11-29 CN disclosed