SCHEMBL28818299

SCHEMBL28818299

CCCOC(=O)CCCc1ccccc1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
ALDH1A1 P00352 4/20 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
LMNA P02545 1/20 0.40
CDYL Q9Y232 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
ALOX5 P09917 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
SCHEMBL28008682 0.84 CYP4F2 (0.57) CYP4F2CYP4A11ALDH1A1TDP1TOP2A
SCHEMBL28008285 0.84 CYP4F2 (0.57) CYP4F2CYP4A11ALDH1A1TDP1TOP2A
SCHEMBL28008267 0.80 CYP4F2 (0.65) CYP4F2CYP4A11ALDH1A1TDP1CYP1A2
SCHEMBL28588423 0.79 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1
SCHEMBL1790145 0.78 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1TDP1CYP3A4
SCHEMBL28008712 0.78 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1TDP1TOP2A
SCHEMBL28008708 0.78 CYP4F2 (0.51) CYP4F2CYP4A11ALDH1A1TDP1TOP2A
SCHEMBL7941351 0.77 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1TDP1CYP1A2
SCHEMBL27652868 0.77 TSHR (0.47) ALDH1A1TDP1CYP3A4LMNA
SCHEMBL1790144 0.77 LMNA (0.41) CYP4F2CYP4A11ALDH1A1TDP1CYP3A4

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