SCHEMBL7041307

SCHEMBL7041307

CCOC(=O)C1CCCC1(OOC(C)(C)CC)OOC(C)(C)CC

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.35
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 3/20 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
SCHEMBL7041329 0.96 FKBP1A (0.37) FKBP1APOLBALDH1A1MAPTPPM1B
SCHEMBL7040067 0.89 POLB (0.34) FKBP1APOLBALDH1A1MAPTPPM1B
SCHEMBL7035906 0.84 POLB (0.36) FKBP1APOLBALDH1A1MAPTPPM1B
SCHEMBL28579376 0.73 ALDH1A1 (0.39) FKBP1APOLBALDH1A1MAPTPPM1B
SCHEMBL28598133 0.70 ALDH1A1 (0.56) FKBP1AALDH1A1MAPT
SCHEMBL17971804 0.69 MAPT (0.38) POLBALDH1A1MAPTPPM1BPTPN1
SCHEMBL3237652 0.68 MAPT (0.37) POLBALDH1A1MAPTPPM1BPTPN1
SCHEMBL6743612 0.68
SCHEMBL29222353 0.67
SCHEMBL1230557 0.66 ALDH1A1 (0.41) FKBP1APOLBALDH1A1MAPTPPM1B

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