SCHEMBL7040067

SCHEMBL7040067

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
FKBP1A P62942 2/20 0.34
ALDH1A1 P00352 5/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 1/20 0.32
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL7035906 0.96 POLB (0.36) POLBFKBP1AALDH1A1MAPTMEN1
SCHEMBL7041307 0.89 FKBP1A (0.35) POLBFKBP1AALDH1A1MAPTPPM1B
SCHEMBL7041329 0.85 FKBP1A (0.37) POLBFKBP1AALDH1A1MAPTMEN1
SCHEMBL7039747 0.83 ATM (0.32) TSHRCYP2C9CYP2C19
SCHEMBL28579376 0.75 ALDH1A1 (0.39) POLBFKBP1AALDH1A1MAPTMEN1
SCHEMBL17971804 0.71 MAPT (0.38) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL3237652 0.70 MAPT (0.37) POLBALDH1A1MAPTPPM1BPTPN1
SCHEMBL14248496 0.68 ALDH1A1 (0.41) POLBFKBP1AALDH1A1MAPTMEN1
SCHEMBL1230557 0.68 ALDH1A1 (0.41) POLBFKBP1AALDH1A1MAPTMEN1
SCHEMBL9403502 0.68 ALDH1A1 (0.38) POLBALDH1A1MAPTMEN1KMT2A

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