SCHEMBL30217356

SCHEMBL30217356

CC(CC(=O)O)c1cccc([C@H](O)c2cnc(-c3cccc(Oc4c(F)cc5[nH]ccc5c4F)c3)[nH]2)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.34
▸ BACE2 Q9Y5Z0 3/20 0.34
▸ CTSA P10619 5/20 0.33
▸ FFAR1 O14842 4/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CMKLR1 Q99788 1/20 0.30
▸ PLG P00747 1/20 0.30
▸ PLAU P00749 1/20 0.30
▸ GRIN2D O15399 1/20 0.30
▸ GRIN3B O60391 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2A Q12879 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ GRIN2C Q14957 1/20 0.30
▸ GRIN3A Q8TCU5 1/20 0.30
▸ FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL30217308 0.87 PLAU (0.33) BACE1BACE2FFAR1PLGPLAU
SCHEMBL30217092 0.86 BACE1 (0.32) BACE1BACE2GRIN2DGRIN3BGRIN1
SCHEMBL30217076 0.83 KDM4E (0.35) BACE1BACE2KDM4EALDH1A1
SCHEMBL30217199 0.83 CDK8 (0.33) BACE1BACE2KDM4EALDH1A1
SCHEMBL30967767 0.83 DRD1 (0.33) BACE1BACE2KDM4EALDH1A1GRIN2D
SCHEMBL30216979 0.81 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL29336583 0.81 BACE1 (0.37) BACE1BACE2KDM4EGRIN2DGRIN3B
SCHEMBL30285449 0.81 BACE1 (0.37) BACE1BACE2KDM4EGRIN2DGRIN3B
SCHEMBL29336768 0.79 GRIN2D (0.33) BACE1BACE2GRIN2DGRIN3BGRIN1
SCHEMBL30285407 0.79 GRIN2D (0.33) BACE1BACE2GRIN2DGRIN3BGRIN1

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
EP-4396179-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION (US) 2024-07-10 — — EP disclosed
WO-2023034992-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION (US) 2023-03-09 — — WO disclosed
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