Sugi Predict

Sugi Predict / Compounds / SCHEMBL7757432

SCHEMBL7757432

SCHEMBL7757432

CCCCC(CC)C(=O)OOC(C)CC(C)(C)OC(=O)C(=O)OC(C)(C)CC(C)OOC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 6/20 0.42
▸ CA1 P00915 4/20 0.42
▸ MAPK1 P28482 1/20 0.36
▸ GAA P10253 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CTSK P43235 4/20 0.32

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
SCHEMBL8332749 0.94 CA2 (0.47) CA2CA1MAPK1GAAXBP1
SCHEMBL8332754 0.88 CA2 (0.44) CA2CA1MAPK1GAAXBP1
SCHEMBL7755949 0.81 ALDH1A1 (0.35) ATMNPSR1L3MBTL1
SCHEMBL7758053 0.79 TSHR (0.41) NPSR1
SCHEMBL7757437 0.77 — —
SCHEMBL3466380 0.77 CA2 (0.59) CA2CA1MAPK1GAAXBP1
SCHEMBL210333 0.75 CA2 (0.61) CA2CA1MAPK1GAAXBP1
SCHEMBL7755961 0.74 — —
SCHEMBL7757441 0.74 — —
SCHEMBL11423951 0.74 ALDH1A1 (0.36) ATMNPSR1L3MBTL1

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
EP-0850927-B1 Novel oxalic acid peroxide compositions and their uses ATOFINA CHEM INC (US) 2001-03-14 — — EP disclosed
EP-0850927-A1 Novel oxalic acid peroxide compositions and uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 — — EP disclosed