SCHEMBL3622979

SCHEMBL3622979

C=CC(=O)C1CCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.42
CYP1A2 P05177 1/20 0.37
RECQL P46063 1/20 0.37
MAPK1 P28482 1/20 0.37
TLR4 O00206 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL10434070 0.94 MCL1 (0.49) MCL1CYP1A2RECQLMAPK1TLR4
SCHEMBL10720778 0.76 MCL1 (0.37) MCL1CYP1A2RECQLMAPK1
SCHEMBL5177762 0.76
SCHEMBL9807467 0.75 MCL1 (0.50) MCL1CYP1A2RECQLMAPK1TLR4
Ethylene SCHEMBL10582422 0.74 MCL1 (0.48) MCL1CYP1A2RECQLMAPK1CA1
SCHEMBL31464263 0.73
SCHEMBL22468834 0.73
SCHEMBL932332 0.73
Ethylene SCHEMBL10577596 0.72 MCL1 (0.43) MCL1CYP1A2RECQLMAPK1
SCHEMBL3440977 0.72

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-7695863-B2 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD. (JP) 2010-04-13 US disclosed
US-20080102377-A1 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD (JP) 2008-05-01 US disclosed