SCHEMBL30217092

SCHEMBL30217092

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.32
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ PPARG P37231 2/20 0.31
▸ DGAT1 O75907 2/20 0.31
▸ CYP4F2 P78329 1/20 0.31
▸ CYP4A11 Q02928 1/20 0.31
▸ GRIN2D O15399 1/20 0.31
▸ GRIN3B O60391 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2A Q12879 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ GRIN2C Q14957 1/20 0.31
▸ GRIN3A Q8TCU5 1/20 0.31
▸ KDM4A O75164 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ SGK1 O00141 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
SCHEMBL30217356 0.86 BACE1 (0.34) BACE1BACE2GRIN2DGRIN3BGRIN1
SCHEMBL30217308 0.85 PLAU (0.33) BACE1BACE2
SCHEMBL30217199 0.83 CDK8 (0.33) BACE1BACE2
SCHEMBL30967767 0.83 DRD1 (0.33) BACE1BACE2GRIN2DGRIN3BGRIN1
SCHEMBL30217076 0.82 KDM4E (0.35) BACE1BACE2
SCHEMBL30216979 0.81 KDM4E (0.34) —
SCHEMBL30285449 0.80 BACE1 (0.37) BACE1BACE2GRIN2DGRIN3BGRIN1
SCHEMBL29336583 0.80 BACE1 (0.37) BACE1BACE2GRIN2DGRIN3BGRIN1
SCHEMBL29336768 0.80 GRIN2D (0.33) BACE1BACE2GRIN2DGRIN3BGRIN1
SCHEMBL30285407 0.80 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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