SCHEMBL29237217

SCHEMBL29237217

COC(=O)CCc1cccc(C2OC2OC=O)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.42
▸ PDE4D Q08499 3/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ CYP4F2 P78329 2/20 0.40
▸ CYP4A11 Q02928 2/20 0.40
▸ SLC5A2 P31639 6/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ PTPN1 P18031 2/20 0.36
▸ 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

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
SCHEMBL30216977 0.82 SIRT2 (0.43) BRD4PDE4DSIRT2CYP4F2CYP4A11
SCHEMBL30217084 0.79 SIRT2 (0.44) BRD4PDE4DSIRT2CYP4F2CYP4A11
SCHEMBL30967950 0.79 SIRT2 (0.44) BRD4PDE4DSIRT2CYP4F2CYP4A11
SCHEMBL30217212 0.74 SIRT2 (0.42) BRD4PDE4DSIRT2CYP4F2CYP4A11
SCHEMBL29237231 0.74 SIRT2 (0.42) BRD4PDE4DSIRT2CYP4F2CYP4A11
SCHEMBL693047 0.73 SIRT2 (0.50) BRD4SIRT2CYP4F2CYP4A11CNR2
SCHEMBL698078 0.72 CYP4F2 (0.55) BRD4SIRT2CYP4F2CYP4A11PTPN1
SCHEMBL5748661 0.71 SIRT2 (0.51) BRD4SIRT2CYP4F2CYP4A11CNR2
SCHEMBL901672 0.71 TAAR1 (0.53) SIRT2CNR2
SCHEMBL30217292 0.71 CYP4F2 (0.45) CYP4F2CYP4A11

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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