SCHEMBL28346013

SCHEMBL28346013

CC(=O)OC(CCC(C)(C)C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.53
PABPC1 P11940 1/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MMP12 P39900 1/20 0.38
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL28346012 1.00 RIPK1 (0.53) RIPK1PABPC1APOBEC3AAPOBEC3GALDH1A1
SCHEMBL28343847 0.83 PABPC1 (0.51) RIPK1PABPC1APOBEC3AAPOBEC3GALDH1A1
SCHEMBL28343846 0.83 PABPC1 (0.51) RIPK1PABPC1APOBEC3AAPOBEC3GALDH1A1
SCHEMBL29265547 0.81 PABPC1 (0.52) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL7947907 0.81 PABPC1 (0.52) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL29377527 0.81 PABPC1 (0.52) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL10615626 0.80 ALDH1A1 (0.51) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL8475586 0.80 PABPC1 (0.51) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL8772074 0.80 PABPC1 (0.51) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL28346759 0.80 PABPC1 (0.51) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4

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