SCHEMBL28008682

SCHEMBL28008682

CCCCc1ccccc1CCCC(=O)OCCC

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.57
CYP4A11 Q02928 2/20 0.57
DGKA P23743 1/20 0.53
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
TOP2A P11388 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CNR2 P34972 1/20 0.43

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
SCHEMBL28008285 0.94 CYP4F2 (0.57) CYP4F2CYP4A11DGKAALDH1A1TDP1
SCHEMBL28008708 0.87 CYP4F2 (0.51) CYP4F2CYP4A11DGKAALDH1A1TDP1
SCHEMBL28509948 0.86 CYP4F2 (0.64) CYP4F2CYP4A11DGKAALDH1A1TDP1
SCHEMBL28588423 0.85 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1
SCHEMBL7148843 0.84 CYP4F2 (0.61) CYP4F2CYP4A11DGKAALDH1A1TDP1
SCHEMBL28818299 0.84 CYP4F2 (0.48) CYP4F2CYP4A11DGKAALDH1A1TDP1
SCHEMBL26240076 0.84 CYP4F2 (0.55) CYP4F2CYP4A11DGKAALDH1A1TDP1
SCHEMBL28008712 0.84 CYP4F2 (0.48) CYP4F2CYP4A11DGKAALDH1A1TDP1
SCHEMBL5598810 0.83 IAPP (0.51) CYP4F2CYP4A11DGKAALDH1A1TDP1
SCHEMBL4392099 0.83 CYP4F2 (0.60) CYP4F2CYP4A11DGKACYP1A2CYP3A4

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