SCHEMBL30217058

SCHEMBL30217058

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ PTPN1 P18031 3/20 0.37
▸ BRD4 O60885 1/20 0.35
▸ CYP4F2 P78329 2/20 0.34
▸ CYP4A11 Q02928 2/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ CHRM5 P08912 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ OPRM1 P35372 3/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ AKT2 P31751 1/20 0.33

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 1.00 SIRT2 (0.40) SIRT2PTPN1BRD4CYP4F2CYP4A11
SCHEMBL29237243 0.89 SIRT2 (0.41) SIRT2PTPN1BRD4CHRM5CHRM1
SCHEMBL29237814 0.88 SIRT2 (0.41) SIRT2PTPN1BRD4CYP4F2CYP4A11
SCHEMBL31108597 0.88 SIRT2 (0.43) SIRT2PTPN1BRD4CYP4F2CYP4A11
SCHEMBL29237224 0.88 SIRT2 (0.43) SIRT2PTPN1BRD4CYP4F2CYP4A11
SCHEMBL31108595 0.86 SIRT2 (0.41) SIRT2PTPN1BRD4CYP4F2CYP4A11
SCHEMBL31108543 0.86 SIRT2 (0.41) SIRT2PTPN1BRD4CYP4F2CYP4A11
SCHEMBL29237811 0.81 SIRT2 (0.38) SIRT2PTPN1BRD4NOS2EPHX2
SCHEMBL30216997 0.81 SIRT2 (0.38) SIRT2PTPN1BRD4NOS2EPHX2
SCHEMBL29237703 0.79 SIRT2 (0.41) SIRT2PTPN1BRD4CHRM5CHRM1

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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