SCHEMBL29580445

SCHEMBL29580445

Cc1ccc2c(c1)[nH]c(=O)c(=O)n2CCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.47
GRIA1 P42261 4/20 0.44
GRIA2 P42262 4/20 0.44
GRIA3 P42263 4/20 0.44
GRIA4 P48058 4/20 0.44
GRIN2D O15399 3/20 0.44
GRIN3B O60391 3/20 0.44
GRIN1 Q05586 3/20 0.44
GRIN2A Q12879 3/20 0.44
GRIN2B Q13224 3/20 0.44
GRIN2C Q14957 3/20 0.44
GRIN3A Q8TCU5 3/20 0.44
PGR P06401 1/20 0.42
RORA P35398 1/20 0.42
RORC P51449 1/20 0.42
RORB Q92753 1/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 4/20 0.41
DDO Q99489 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
SCHEMBL24335125 1.00 DAO (0.47) DAOGRIA1GRIA2GRIA3GRIA4
SCHEMBL11509851 0.86 DAO (0.56) DAOALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL24335157 0.83 MEN1 (0.49) DAOGRIA1GRIA2GRIA3GRIA4
SCHEMBL29580107 0.83 GRIA1 (0.63) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL24335260 0.83 GRIA1 (0.63) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL24335140 0.80 PDE5A (0.48) GRIA1GRIA2GRIA3GRIA4RORA
SCHEMBL29580737 0.80 PDE5A (0.48) GRIA1GRIA2GRIA3GRIA4RORA
SCHEMBL11506775 0.80 DAO (0.50) DAOALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL29580047 0.80 ALDH1A1 (0.56) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL24335150 0.80 ALDH1A1 (0.56) GRIA1GRIA2GRIA3GRIA4ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232438-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE The Governors of the University of Alberta (CA) 2023-08-30 EP disclosed
CN-116528867-A Compounds for the treatment of Alzheimer's disease 艾伯塔大学理事会 2023-08-01 CN disclosed
WO-2022082305-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-04-28 WO disclosed