SCHEMBL29237376

SCHEMBL29237376

COC(=O)CCc1cccc(C2(C)OC2CO)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ CYP4F2 P78329 3/20 0.38
▸ CYP4A11 Q02928 3/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ PTPN1 P18031 3/20 0.36
▸ GLA P06280 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ TBXAS1 P24557 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL30216998 0.82 SIRT2 (0.43) SIRT2CYP4F2CYP4A11PDE4DPTPN1
SCHEMBL29237221 0.82 SIRT2 (0.43) SIRT2CYP4F2CYP4A11PDE4DPTPN1
SCHEMBL1410879 0.72 SIRT2 (0.52) SIRT2CYP4F2CYP4A11PTPN1BRD4
SCHEMBL30967961 0.71 SIRT2 (0.39) SIRT2PDE4DPTPN1BRD4CA12
Water SCHEMBL27733177 0.70 SIRT2 (0.50) SIRT2CYP4F2CYP4A11PTPN1BRD4
SCHEMBL29237224 0.70 SIRT2 (0.43) SIRT2CYP4F2CYP4A11PTPN1BRD4
SCHEMBL31108597 0.70 SIRT2 (0.43) SIRT2CYP4F2CYP4A11PTPN1BRD4
SCHEMBL29237243 0.70 SIRT2 (0.41) SIRT2PTPN1BRD4CA12CA7
SCHEMBL1124591 0.70 SPR (0.57) SIRT2CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL1107166 0.70 SIRT2 (0.52) SIRT2CYP4F2CYP4A11BRD4KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 — — CN disclosed
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