SCHEMBL3790342

SCHEMBL3790342

CC(=O)CCC(C)C.CC(=O)CCC(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.57
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 1/20 0.43
SLC15A2 Q16348 1/20 0.43
KDM1A O60341 1/20 0.39
TRPA1 O75762 1/20 0.38
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36

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
SCHEMBL35996 1.00
SCHEMBL7541851 1.00
Hydrogen Peroxide SCHEMBL6884370 0.97 CA1 (0.55) CA1ALDH1A1TDP1LMNASLC15A2
SCHEMBL15091902 0.97
SCHEMBL842034 0.97
Acetic Acid SCHEMBL4601895 0.94 CA1 (0.52) CA1ALDH1A1TDP1LMNASLC15A2
SCHEMBL8584039 0.92 CA1 (0.50) CA1ALDH1A1TDP1LMNASLC15A2
Methyl Isobutyl Ketone SCHEMBL8034980 0.89 ALDH1A1 (0.70) CA1ALDH1A1TDP1LMNASLC15A2
SCHEMBL8334547 0.87 TDP1 (0.48) CA1ALDH1A1TDP1LMNASLC15A2
SCHEMBL10953164 0.87 ALDH1A1 (0.52) CA1ALDH1A1TDP1LMNASLC15A2

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
US-20100022032-A1 METHOD OF FORMING ORGANIC FERROELECTRIC FILM, METHOD OF MANUFACTURING MEMORY ELEMENT, MEMORY DEVICE, AND ELECTRONIC APPARATUS SEIKO EPSON CORPORATION (JP) 2010-01-28 US disclosed
US-20080135900-A1 METHOD OF FORMING ORGANIC FERROELECTRIC FILM, METHOD OF MANUFACTURING MEMORY ELEMENT, MEMORY DEVICE, AND ELECTRONIC APPARATUS SEIKO EPSON CORPORATION (JP) 2008-06-12 US disclosed