SCHEMBL721803

SCHEMBL721803

CCCCCCCOC(=O)C(CC(C)(C)C)c1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
XBP1 P17861 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
APP P05067 4/20 0.40
ESR1 P03372 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 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
SCHEMBL7640660 1.00 GAA (0.46) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL28435698 1.00 GAA (0.46) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL721908 1.00 GAA (0.46) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL720021 1.00 GAA (0.46) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL28115085 0.95 L3MBTL1 (0.51) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL721034 0.91 GAA (0.51) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL25308528 0.87 ESR1 (0.44) APPESR1AKR1C4AKR1C3AKR1C2
SCHEMBL28429166 0.87 ESR1 (0.44) APPESR1AKR1C4AKR1C3AKR1C2
SCHEMBL28034260 0.85 GAA (0.44) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL28853653 0.85 ATM (0.43) GAAXBP1ATMNPSR1L3MBTL1

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-115368630-B Liquid antioxidant composition for raw rubber and application thereof 天津利安隆新材料股份有限公司 2024-04-09 CN disclosed
US-20120053097-A1 Metal working oil composition NIPPON OIL CORPORATION 2012-03-01 US disclosed