SCHEMBL7035906

SCHEMBL7035906

CCOC(=O)C1CCCCC1(OOC(C)(C)C)OOC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
FKBP1A P62942 2/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
PPP1CC P36873 1/20 0.31

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
SCHEMBL7040067 0.96 POLB (0.34) POLBFKBP1AALDH1A1MAPTMEN1
SCHEMBL7041329 0.89 FKBP1A (0.37) POLBFKBP1AALDH1A1MAPTMEN1
SCHEMBL7041307 0.84 FKBP1A (0.35) POLBFKBP1AALDH1A1MAPTPPM1B
SCHEMBL7039147 0.82 SLC6A2 (0.33) POLBFKBP1AALDH1A1MAPT
SCHEMBL28579376 0.80 ALDH1A1 (0.39) POLBFKBP1AALDH1A1MAPTMEN1
SCHEMBL7039747 0.79 ATM (0.32) TSHR
SCHEMBL1230557 0.73 ALDH1A1 (0.41) POLBFKBP1AALDH1A1MAPTMEN1
SCHEMBL14248496 0.73 ALDH1A1 (0.41) POLBFKBP1AALDH1A1MAPTMEN1
SCHEMBL21950907 0.73 ALDH1A1 (0.38) POLBFKBP1AALDH1A1MAPTMEN1
SCHEMBL2126027 0.72 ALDH1A1 (0.40) POLBFKBP1AALDH1A1MAPTMEN1

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