SCHEMBL11568952

SCHEMBL11568952

CC(C)CC(NC(=O)C(NC(=O)C(NC(=O)C(N)Cc1ccc(OCc2ccccc2)cc1)C(C)OCc1ccccc1)C(C)C)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
MME P08473 2/20 0.50
ACE P12821 1/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
IL1RN P18510 1/20 0.48
ERAP2 Q6P179 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
PPARG P37231 2/20 0.48
PSMB1 P20618 1/20 0.47
PSMB9 P28065 1/20 0.47
PSMB5 P28074 1/20 0.47
PSMB10 P40306 1/20 0.47
PSMB2 P49721 1/20 0.47
OPRD1 P41143 1/20 0.46
LNPEP Q9UIQ6 1/20 0.46
BACE1 P56817 1/20 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
SCHEMBL11568958 1.00 LTA4H (0.52) LTA4HMMEACECPA1ACE2
SCHEMBL11762365 0.86 LNPEP (0.54) LTA4HMMEACECPA1ACE2
SCHEMBL11762373 0.86 LNPEP (0.54) LTA4HMMEACECPA1ACE2
SCHEMBL30052981 0.85 LTA4H (0.66) LTA4HMMEBACE1
SCHEMBL11568405 0.82 MME (0.50) LTA4HMME
SCHEMBL11568394 0.82 MME (0.50) LTA4HMME
SCHEMBL32681297 0.81 FOLH1 (0.60) LTA4HMMEACEOPRD1BACE1
Hydrochloric Acid SCHEMBL31321913 0.80 ERAP2 (0.56) LTA4HMMEACECPA1ACE2
SCHEMBL8332105 0.79 FOLH1 (0.58) LTA4HOPRD1BACE1
SCHEMBL8332107 0.79 FOLH1 (0.58) LTA4HOPRD1BACE1

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
US-4146614-A TREATMENT OF SCHIZOPHRENIA STATE OF MICHIGAN (US) 1979-03-27 US disclosed