SCHEMBL4462014

SCHEMBL4462014

CC(C)C(=O)O.CC(C)C(=O)O.[Zn]

nearest known ligand 0.91

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
SLC7A5 Q01650 2/20 0.44
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
FFAR3 O14843 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
GABRR1 P24046 2/20 0.38
RNPEP Q9H4A4 1/20 0.38
CYP1A2 P05177 1/20 0.38
ABCB11 O95342 1/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL3140636 1.00
Hydrogen Peroxide SCHEMBL28852493 0.95
SCHEMBL5940223 0.95 TP53 (0.61) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL3662 0.95
SCHEMBL10857351 0.95
SCHEMBL17767389 0.95 TP53 (0.61) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL405938 0.95 TP53 (0.61) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL2531259 0.95 TP53 (0.61) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL4640114 0.95 TP53 (0.61) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL2774033 0.95 TP53 (0.61) TP53SLC7A5TSHRLMNAALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879955-B1 RUBBER COMPOSITION CONTAINING METAL SALTS OF ORGANIC ACIDS, METHOD OF CURING, CURED COMPOSITIONS, AND ARTICLE CRAY VALLEY TECHNOLOGY USA LLC (US) 2012-06-27 EP disclosed
US-20090215966-A1 RUBBER COMPOSITION CONTAINING METAL SALTS OF ORGANIC ACIDS, METHOD OF CURING, CURED COMPOSITIONS, AND ARTICLE FINA TECHNOLOGY, INC. 2009-08-27 US disclosed
EP-1879955-A1 RUBBER COMPOSITION CONTAINING METAL SALTS OF ORGANIC ACIDS, METHOD OF CURING, CURED COMPOSITIONS, AND ARTICLE Sartomer Technology Co., Inc. (US) 2008-01-23 EP disclosed
WO-2006119903-A1 RUBBER COMPOSITION CONTAINING METAL SALTS OF ORGANIC ACIDS, METHOD OF CURING, CURED COMPOSITIONS, AND ARTICLE SARTOMER TECHNOLOGY CO., INC. (US) 2006-11-16 WO disclosed