SCHEMBL7947907

SCHEMBL7947907

CCCC(OC(C)=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.52
APOBEC3A P31941 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
AOC3 Q16853 1/20 0.41
MMP12 P39900 1/20 0.40
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
POLB P06746 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL29265547 1.00 PABPC1 (0.52) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL29377527 1.00 PABPC1 (0.52) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL6666615 0.90 PABPC1 (0.50) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL1841218 0.87 AOC3 (0.42) PABPC1APOBEC3AAPOBEC3GMTNR1AMTNR1B
SCHEMBL982155 0.87 MTNR1A (0.43) PABPC1APOBEC3AAPOBEC3GMTNR1AMTNR1B
SCHEMBL23664923 0.87 ALDH1A1 (0.49) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL9340624 0.87 ALDH1A1 (0.49) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL27477569 0.87 ALDH1A1 (0.49) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
Bicarbonate SCHEMBL27813137 0.86 AOC3 (0.41) PABPC1APOBEC3AAPOBEC3GMTNR1AMTNR1B
SCHEMBL9411566 0.86 AOC3 (0.41) PABPC1APOBEC3AAPOBEC3GMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115057994-B Olefin metathesis polymerization method based on diazonium monomer and polymer thereof 安徽大学 2024-07-30 CN disclosed
CN-113912767-A Self-crosslinking polymer modified asphalt emulsion and preparation method thereof 湖北工业大学 2022-01-11 CN disclosed
US-6258857-B1 CHEMICAL FOR DISPENSING, DISPERSE SOLUTION, ACRYLIC ACID POLYMER AND ALKALI WITH SILICA KYOWA INDUSTRIAL CO., LTD. (JP) 2001-07-10 US disclosed
US-4079075-A Primary alkyl esters as mediums for oxidations by phase-transfer catalyzed hypohalites THE DOW CHEMICAL COMPANY (US) 1978-03-14 US disclosed