SCHEMBL28008708

SCHEMBL28008708

CCCOC(=O)CCCc1ccccc1CC(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
TOP2A P11388 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DGKA P23743 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
CNR2 P34972 1/20 0.39
CDYL Q9Y232 1/20 0.39

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
SCHEMBL28008682 0.87 CYP4F2 (0.57) CYP4F2CYP4A11ALDH1A1TDP1TOP2A
SCHEMBL28008285 0.87 CYP4F2 (0.57) CYP4F2CYP4A11ALDH1A1TDP1TOP2A
SCHEMBL28008712 0.83 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1TDP1TOP2A
SCHEMBL28588423 0.79 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1MEN1KMT2A
SCHEMBL28818299 0.78 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1TDP1TOP2A
SCHEMBL10203389 0.77 HDAC3 (0.52) CYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL28509948 0.77 CYP4F2 (0.64) CYP4F2CYP4A11ALDH1A1TDP1DGKA
SCHEMBL3954435 0.76 TDP1 (0.66) TDP1TOP2ASMN1; SMN2DGKAKDM4E
Propionic Acid SCHEMBL27690487 0.75 CYSLTR2 (0.46) ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL11588447 0.74 CYP4F2 (0.68) CYP4F2CYP4A11ALDH1A1TOP2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104412441-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2015-03-11 CN disclosed