SCHEMBL29237243

SCHEMBL29237243

COC(=O)CCc1cccc(C2(C(=O)O)CC(C)(OC)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ PTPN1 P18031 2/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ AKT2 P31751 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL30967835 0.89 SIRT2 (0.40) SIRT2PTPN1BRD4AKT1AKT2
SCHEMBL30217058 0.89 SIRT2 (0.40) SIRT2PTPN1BRD4AKT1AKT2
SCHEMBL29237703 0.87 SIRT2 (0.41) SIRT2PTPN1BRD4AKT1AKT2
SCHEMBL30967961 0.79 SIRT2 (0.39) SIRT2PTPN1BRD4RAB9ACA12
SCHEMBL29237814 0.77 SIRT2 (0.41) SIRT2PTPN1BRD4CA12CA7
SCHEMBL31108597 0.77 SIRT2 (0.43) SIRT2PTPN1BRD4AKT1AKT2
SCHEMBL29237224 0.77 SIRT2 (0.43) SIRT2PTPN1BRD4AKT1AKT2
SCHEMBL30967924 0.76 HCAR3 (0.42) ALDH1A1OPRM1MEN1KMT2A
SCHEMBL29237730 0.76 HCAR3 (0.42) ALDH1A1OPRM1MEN1KMT2A
SCHEMBL31108595 0.75 SIRT2 (0.41) SIRT2PTPN1BRD4AKT1AKT2

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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