SCHEMBL28580701

SCHEMBL28580701

CC(=O)OC(CC(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.54
APOBEC3A P31941 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50
MMP12 P39900 1/20 0.48
GABBR2 O75899 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
FFAR1 O14842 5/20 0.44
CYP2C19 P33261 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 1/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL28137530 0.86 PABPC1 (0.51) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL27711499 0.86 FFAR1 (0.42) PABPC1APOBEC3AAPOBEC3GMMP12FFAR1
SCHEMBL18759622 0.85 PABPC1 (0.56) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL6230924 0.84 PABPC1 (0.50) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL664962 0.83 PABPC1 (0.55) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL8467351 0.83 PABPC1 (0.55) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL2294116 0.83 PABPC1 (0.55) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL9608808 0.83 PABPC1 (0.55) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL28748037 0.82 CPN1 (0.47) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL8771150 0.82 FFAR1 (0.47) PABPC1APOBEC3AAPOBEC3GALDH1A1FFAR1

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-112939803-A Preparation process of dihydrooat alkaloid D 郑州轻工业大学 2021-06-11 CN disclosed