SCHEMBL30217212

SCHEMBL30217212

COC(=O)CCc1cccc(C2CC2C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ BRD4 O60885 1/20 0.39
▸ CYP4F2 P78329 2/20 0.38
▸ CYP4A11 Q02928 2/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ PTPN1 P18031 2/20 0.37
▸ MDM2 Q00987 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ GPR88 Q9GZN0 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MCL1 Q07820 1/20 0.35

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
SCHEMBL29237231 1.00 SIRT2 (0.42) SIRT2BRD4CYP4F2CYP4A11EPHX2
SCHEMBL30216977 0.79 SIRT2 (0.43) SIRT2BRD4CYP4F2CYP4A11CYP11B1
SCHEMBL29237217 0.74 BRD4 (0.42) SIRT2BRD4CYP4F2CYP4A11EPHX2
SCHEMBL693047 0.74 SIRT2 (0.50) SIRT2BRD4CYP4F2CYP4A11CYP11B1
SCHEMBL22365351 0.74 FFAR1 (0.56) —
SCHEMBL698078 0.73 CYP4F2 (0.55) SIRT2BRD4CYP4F2CYP4A11CYP11B1
SCHEMBL9545043 0.72 KMT2A (0.54) SIRT2
SCHEMBL7716761 0.72 SIRT2 (0.51) SIRT2BRD4CYP4F2CYP4A11CYP11B1
SCHEMBL30967950 0.72 SIRT2 (0.44) SIRT2BRD4CYP4F2CYP4A11CYP11B1
SCHEMBL30217084 0.72 SIRT2 (0.44) SIRT2BRD4CYP4F2CYP4A11CYP11B1

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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