SCHEMBL7879155

SCHEMBL7879155

CCCCC(CC)C(=O)OOC(C)(CC(C)C)O[O]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.49
CA1 P00915 4/20 0.49
MAPK1 P28482 1/20 0.41
ATM Q13315 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MMP8 P22894 1/20 0.31
USP2 O75604 1/20 0.31
CTSK P43235 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL2335903 0.93 CA2 (0.53) CA2CA1MAPK1ATML3MBTL1
SCHEMBL249395 0.86 CA2 (0.46) CA2CA1MAPK1ATML3MBTL1
SCHEMBL6844550 0.86 CA2 (0.46) CA2CA1MAPK1ATML3MBTL1
SCHEMBL11051590 0.82 CA2 (0.58) CA2CA1MAPK1ATML3MBTL1
SCHEMBL3747655 0.81 MMP8 (0.38) CA2CA1MAPK1MMP8
SCHEMBL6846544 0.81 CA2 (0.46) CA2CA1MAPK1ATML3MBTL1
SCHEMBL20299539 0.80 CA2 (0.56) CA2CA1MAPK1ATML3MBTL1
SCHEMBL8729030 0.79 CA2 (0.51) CA2CA1MAPK1ATML3MBTL1
SCHEMBL2049913 0.79 CA2 (0.51) CA2CA1MAPK1ATML3MBTL1
SCHEMBL218700 0.79 CA2 (0.58) CA2CA1MAPK1ATML3MBTL1

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-1071662-A1 PEROXIDES, THEIR PREPARATION PROCESS AND USE Akzo Nobel N.V. (NL) 2001-01-31 EP disclosed
WO-1999052864-A1 PEROXIDES, THEIR PREPARATION PROCESS AND USE AKZO NOBEL N.V. (NL) 1999-10-21 WO disclosed