SCHEMBL28401609

SCHEMBL28401609

CC(C)CCn1ccc2cc(-c3noc(=O)[nH]3)ccc21

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.50
ALOX5AP P20292 1/20 0.41
ALDH1A1 P00352 1/20 0.41
XDH P47989 1/20 0.40

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
SCHEMBL28405547 0.91 PLA2G4A (0.42) PLA2G4AALOX5APALDH1A1
SCHEMBL28402397 0.88 PLA2G4A (0.52) PLA2G4AALOX5APALDH1A1
SCHEMBL28403977 0.81 PLA2G4A (0.48) PLA2G4AALDH1A1XDH
SCHEMBL28889988 0.81 PLA2G4A (0.46) PLA2G4AALOX5APALDH1A1XDH
SCHEMBL28402333 0.79 PLA2G4A (0.43) PLA2G4AALOX5APALDH1A1
SCHEMBL28407778 0.79 PLA2G4A (0.54) PLA2G4A
SCHEMBL28412665 0.79 PLA2G4A (0.51) PLA2G4AALDH1A1
SCHEMBL28404835 0.78 PLA2G4A (0.51) PLA2G4A
SCHEMBL28409163 0.78 PLA2G4A (0.49) PLA2G4AXDH
SCHEMBL28405221 0.77 PLA2G4A (0.52) PLA2G4AALOX5AP

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-111072647-B 3-substituted indole-5-oxo-4, 5-dihydro-1, 2, 4-oxadiazole compound and application thereof 沈阳药科大学 2021-02-26 CN claimed
CN-111072647-A 3-substituted indole-5-oxo-4, 5-dihydro-1, 2, 4-oxadiazole compound and application thereof 沈阳药科大学 2020-04-28 CN claimed