SCHEMBL7039147

SCHEMBL7039147

COC(=O)C1CCCCCC1(OOC(C)(C)C)OOC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
FKBP1A P62942 1/20 0.30
GAA P10253 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
SCHEMBL7039747 0.94 ATM (0.32) SMN1; SMN2ATML3MBTL1
SCHEMBL7035906 0.82 POLB (0.36) MAPTALDH1A1POLBFKBP1A
SCHEMBL7040067 0.78 POLB (0.34) MAPTALDH1A1POLBFKBP1A
SCHEMBL1265958 0.72
SCHEMBL7041329 0.71 FKBP1A (0.37) MAPTALDH1A1POLBFKBP1A
SCHEMBL11284836 0.70 ATM (0.40) MAPTSMN1; SMN2ATML3MBTL1POLB
SCHEMBL30546680 0.68
SCHEMBL30841160 0.68 MAPT (0.36) MAPTSMN1; SMN2ATML3MBTL1POLB
SCHEMBL21065649 0.68
SCHEMBL3642324 0.68 ATM (0.37) MAPTSMN1; SMN2ATML3MBTL1POLB

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
WO-2003000655-A1 PEROXYKETALS DERIVED FROM CYCLIC Β-KETO ESTERS CROMPTON CORPORATION (US) 2003-01-03 WO disclosed
US-6362361-B1 CROSS-LINKING AGENT FOR UNSATURATED POLYESTERS, EPOXY VINYL ESTERS RESINS, ELASTOMERS, THERMOPLASTICS, AND RUBBERS; REDUCED GEL TIMES; REDUCED PRODUCT CRACKING CAUSED BY INTERNAL STRESSES BY LOWERING HEAT EVOLUTION CROMPTON CORPORATION 2002-03-26 US disclosed