SCHEMBL30967950

SCHEMBL30967950

COC(=O)CCc1cccc([C@H]2OC2C(C)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ PDE4D Q08499 3/20 0.42
▸ BRD4 O60885 1/20 0.40
▸ PTPN1 P18031 2/20 0.38
▸ CYP4F2 P78329 2/20 0.37
▸ CYP4A11 Q02928 2/20 0.37
▸ TSHR P16473 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
▸ F2RL1 P55085 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ SLC7A5 Q01650 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36

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
SCHEMBL30217084 1.00 SIRT2 (0.44) SIRT2PDE4DBRD4PTPN1CYP4F2
SCHEMBL30216977 0.81 SIRT2 (0.43) SIRT2PDE4DBRD4PTPN1CYP4F2
SCHEMBL29237217 0.79 BRD4 (0.42) SIRT2PDE4DBRD4PTPN1CYP4F2
SCHEMBL5748661 0.74 SIRT2 (0.51) SIRT2BRD4PTPN1CYP4F2CYP4A11
SCHEMBL3627247 0.73 SLC7A5 (0.51) SIRT2BRD4PTPN1CYP4F2CYP4A11
SCHEMBL27399582 0.73 CYP4F2 (0.54) SIRT2BRD4CYP4F2CYP4A11ALDH1A1
SCHEMBL1107166 0.72 SIRT2 (0.52) SIRT2BRD4CYP4F2CYP4A11KDM4E
SCHEMBL1124591 0.72 SPR (0.57) SIRT2CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL30655576 0.72 SPR (0.57) SIRT2CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL1410879 0.72 SIRT2 (0.52) SIRT2BRD4PTPN1CYP4F2CYP4A11

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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