SCHEMBL4601675

SCHEMBL4601675

C#CCOc1ccc(C(=O)N(C)C2(O)CCCCC2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 4/20 0.47
MAOB P27338 2/20 0.44
ELANE P08246 1/20 0.44
PDE4B Q07343 1/20 0.43
CYP2B6 P20813 1/20 0.41
ACHE P22303 1/20 0.41
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL4604796 0.87 THRA (0.36) SLC6A5MAOBELANEPDE4BCYP2B6
SCHEMBL4603982 0.82 TP53 (0.42) SLC6A5MAOBPDE4BCYP2B6TP53
SCHEMBL4246097 0.78 SLC6A5 (0.47) SLC6A5PDE4BCYP2B6ALDH1A1SMN1; SMN2
SCHEMBL4245123 0.77 SLC6A5 (0.58) SLC6A5CYP2B6TP53SMN1; SMN2L3MBTL1
SCHEMBL4604440 0.76 MAOB (0.44) MAOBELANEPDE4BCYP2B6ACHE
SCHEMBL4249716 0.75 SLC6A5 (0.58) SLC6A5PDE4BCYP2B6TP53SMN1; SMN2
SCHEMBL4603140 0.75 MAOB (0.43) MAOBELANEPDE4BCYP2B6ACHE
SCHEMBL2286794 0.74 TSHR (0.68) MAOBPDE4BCYP2B6TSHRMAPK1
SCHEMBL12799701 0.74 MAOB (0.63) MAOBPDE4BCYP2B6ACHEALDH1A1
SCHEMBL3288790 0.74 CYP2B6 (0.56) MAOBPDE4BCYP2B6ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940780-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL CO., LTD. (JP) 2008-07-09 EP disclosed
WO-2007049728-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-03 WO disclosed