SCHEMBL30217005

SCHEMBL30217005

CC(C(=O)O)c1cccc(C(c2cnc(-c3cc(Oc4c(F)cc5[nH]ccc5c4F)ccc3F)[nH]2)C(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.33
▸ PTGS2 P35354 2/20 0.31
▸ AKR1C3 P42330 1/20 0.30
▸ AKR1C2 P52895 1/20 0.30
▸ APP P05067 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL29237541 0.87 FFAR1 (0.37) —
SCHEMBL30217229 0.87 FFAR1 (0.37) —
SCHEMBL30217224 0.85 FFAR1 (0.32) —
SCHEMBL29237349 0.85 FFAR1 (0.32) —
SCHEMBL30217245 0.79 PTGS1 (0.33) PTGS1AKR1C3AKR1C2APPCYP2C19
SCHEMBL31108496 0.77 PTGER1 (0.32) —
SCHEMBL29237247 0.77 THRA (0.32) —
SCHEMBL30217196 0.77 THRA (0.32) —
SCHEMBL29336943 0.75 DRD1 (0.32) —
SCHEMBL30217334 0.74 — —

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-4396179-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION (US) 2024-07-10 — — EP disclosed
CN-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 — — CN disclosed
WO-2023034992-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION (US) 2023-03-09 — — WO disclosed
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