SCHEMBL28343201

SCHEMBL28343201

CC(=O)OC(CC(C)C)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
STAT3 P40763 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
LMNA P02545 1/20 0.40
UTS2R Q9UKP6 1/20 0.39
PABPC1 P11940 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 1/20 0.36
FFAR1 O14842 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.36
ANPEP P15144 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
SCHEMBL28343199 1.00 ACHE (0.45) ACHESTAT3SLC6A2SLC6A4SLC6A3
SCHEMBL765398 0.84 PABPC1 (0.52) LMNAPABPC1APOBEC3AAPOBEC3GALDH1A1
SCHEMBL20179578 0.84 PABPC1 (0.52) LMNAPABPC1APOBEC3AAPOBEC3GALDH1A1
SCHEMBL9796155 0.81 LMNA (0.42) LMNAPABPC1APOBEC3AAPOBEC3GALDH1A1
SCHEMBL11855263 0.79 LMNA (0.40) ACHESTAT3LMNAUTS2RPABPC1
SCHEMBL10520406 0.79 TDP1 (0.41) ACHESTAT3LMNAUTS2RPABPC1
SCHEMBL16673003 0.79 UTS2R (0.45) ACHESTAT3SLC6A2SLC6A4SLC6A3
SCHEMBL12237319 0.77 LMNA (0.38) ACHESTAT3LMNAUTS2RPABPC1
SCHEMBL9577012 0.77 FFAR1 (0.40) ACHESTAT3LMNAUTS2RPABPC1
SCHEMBL28192661 0.77 SLC6A2 (0.43) ACHESTAT3SLC6A2SLC6A3LMNA

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
CN-110590552-B Synthetic method of acetate compound 青岛农业大学 2022-02-08 CN disclosed
CN-110590552-A Synthetic method of acetate compound 青岛农业大学 2019-12-20 CN disclosed