SCHEMBL9596191

SCHEMBL9596191

CC(=O)Oc1c(C)cc(-c2cc(C)c(OC(C)=O)c(C)c2C)c(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
BACE1 P56817 2/20 0.41
LMNA P02545 3/20 0.38
TNFSF11 O14788 1/20 0.37
ELANE P08246 1/20 0.37
ACHE P22303 2/20 0.37
PREP P48147 2/20 0.35
CELA1 Q9UNI1 1/20 0.35
TOP1 P11387 1/20 0.35
ABCB11 O95342 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
SCHEMBL14580035 0.93 POLB (0.44) HTTKDM4EHSD17B10TP53GAA
SCHEMBL10941837 0.85 KDM4E (0.49) HTTKDM4EHSD17B10TP53GAA
SCHEMBL10624847 0.85 KDM4E (0.52) HTTKDM4EHSD17B10TP53GAA
SCHEMBL2910532 0.83 POLB (0.62) HTTKDM4EHSD17B10TP53GAA
SCHEMBL21583371 0.82 HTT (0.32) HTTKDM4EHSD17B10TP53GAA
SCHEMBL721909 0.82 HTT (0.59) HTTKDM4EHSD17B10TP53GAA
SCHEMBL13954030 0.80 POLB (0.54) HTTKDM4EHSD17B10TP53GAA
SCHEMBL3609168 0.80 HTT (0.45) HTTKDM4EHSD17B10TP53GAA
SCHEMBL14407309 0.78 HTT (0.59) HTTKDM4EHSD17B10TP53GAA
SCHEMBL7430419 0.77 POLB (0.44) HTTKDM4EHSD17B10TP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5331267-A None JP disclosed
WO-2024122557-A1 ESTER COMPOUND, AND ESTER COMPOUND COMPOSITION FOR RESIN RAW MATERIAL 本州化学工業株式会社 2024-06-13 WO disclosed
WO-2024122556-A1 CHAIN-LINKING AGENT, CURABLE RESIN COMPOSITION AND CURED PRODUCT THEREOF, CHAIN LINKING METHOD, AND EPOXY RESIN 本州化学工業株式会社 2024-06-13 WO disclosed
JP-H05331267-A WHOLLY AROMATIC POLYESTER MITSUBISHI PETROCHEM CO LTD 1993-12-14 JP disclosed
US-5204482-A Ethylenediamine monoamide heteroaryl derivatives HOFFMAN-LAROCHE INC. (US) 1993-04-20 US disclosed