SCHEMBL30434776

SCHEMBL30434776

CCC=CCCCC/C=C\CCCCCOC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.41
KCNH2 Q12809 1/20 0.41
SLC6A1 P30531 2/20 0.40
SLC6A11 P48066 1/20 0.40
TK2 O00142 5/20 0.38
CNR1 P21554 4/20 0.38
FAAH O00519 1/20 0.37
EPHX2 P34913 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TK1 P04183 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL30434936 1.00 KIF11 (0.41) KIF11KCNH2SLC6A1SLC6A11TK2
SCHEMBL887556 0.89 SLC6A11 (0.42) KIF11KCNH2SLC6A1SLC6A11TK2
SCHEMBL14640032 0.88 KIF11 (0.39) KIF11KCNH2SLC6A1SLC6A11TK2
SCHEMBL887487 0.84 SLC6A11 (0.44) KIF11KCNH2SLC6A1SLC6A11TK2
SCHEMBL18413416 0.84 KIF11 (0.47) KIF11KCNH2SLC6A1SLC6A11TK2
SCHEMBL5819858 0.84 KIF11 (0.47) KIF11KCNH2SLC6A1SLC6A11TK2
SCHEMBL5819943 0.84 KIF11 (0.47) KIF11KCNH2SLC6A1SLC6A11TK2
SCHEMBL16197752 0.82 KIF11 (0.50) KIF11KCNH2SLC6A1SLC6A11
SCHEMBL887499 0.81 SLC6A11 (0.37) KIF11KCNH2SLC6A1SLC6A11TK2
SCHEMBL5576662 0.80 SLC6A11 (0.37) KIF11KCNH2SLC6A1SLC6A11TK2

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
EP-4188900-A1 TOTAL SYNTHESES OF SPECIALIZED PRO-RESOLVING MEDIATORS (SPMS), STRUCTURAL ISOMERS AND STRUCTURAL ANALOGS Université Laval (CA) 2023-06-07 EP disclosed