SCHEMBL29237221

SCHEMBL29237221

COC(=O)CCc1cccc(C2(C)OC2C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ BRD4 O60885 1/20 0.37
▸ PDE4D Q08499 2/20 0.37
▸ CYP4F2 P78329 2/20 0.37
▸ CYP4A11 Q02928 2/20 0.37
▸ PTPN1 P18031 2/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ 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 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 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
SCHEMBL30216998 1.00 SIRT2 (0.43) SIRT2BRD4PDE4DCYP4F2CYP4A11
SCHEMBL29237376 0.82 SIRT2 (0.41) SIRT2BRD4PDE4DCYP4F2CYP4A11
SCHEMBL693047 0.72 SIRT2 (0.50) SIRT2BRD4CYP4F2CYP4A11PTPN1
SCHEMBL30216977 0.72 SIRT2 (0.43) SIRT2BRD4PDE4DCYP4F2CYP4A11
SCHEMBL698078 0.71 CYP4F2 (0.55) SIRT2BRD4CYP4F2CYP4A11PTPN1
SCHEMBL29970923 0.70 TAAR1 (0.53) SIRT2PTPN1THRB
SCHEMBL6378 0.70 TAAR1 (0.53) SIRT2PTPN1THRB
SCHEMBL30967961 0.70 SIRT2 (0.39) SIRT2BRD4PDE4DPTPN1CA12
Water SCHEMBL27733177 0.69 SIRT2 (0.50) SIRT2BRD4CYP4F2CYP4A11PTPN1
SCHEMBL31108597 0.69 SIRT2 (0.43) SIRT2BRD4CYP4F2CYP4A11PTPN1

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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