SCHEMBL27414359

SCHEMBL27414359

CCOC(=O)CCCCOc1[c]cccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.49
▸ CYP4A11 Q02928 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.45
▸ LTA4H P09960 5/20 0.44
▸ TBXAS1 P24557 2/20 0.44
▸ CYSLTR2 Q9NS75 2/20 0.44
▸ CYSLTR1 Q9Y271 2/20 0.44
▸ PDK2 Q15119 1/20 0.44
▸ NAMPT P43490 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL17048204 0.96 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1LTA4HCYSLTR2
SCHEMBL1444265 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2
SCHEMBL16390865 0.81 MAPT (0.44) ALDH1A1LTA4HCYP1A2CYP3A4CYP2C19
SCHEMBL6913802 0.80 PPARA (0.50) ALDH1A1SMN1; SMN2
SCHEMBL30594153 0.79 CYP4F2 (0.57) CYP4F2CYP4A11ALDH1A1LTA4HTBXAS1
SCHEMBL21883676 0.79 CYP4F2 (0.57) CYP4F2CYP4A11ALDH1A1LTA4HTBXAS1
SCHEMBL22091832 0.78 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1LTA4HTBXAS1
SCHEMBL22091791 0.78 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1LTA4HTBXAS1
SCHEMBL22091745 0.78 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1LTA4HTBXAS1
SCHEMBL22091835 0.78 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1LTA4HTBXAS1

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-1088906-A The phenyl phenol leukotriene antagonists that replaces LILLY CO ELI (US) 1994-07-06 — — CN disclosed
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