SCHEMBL4041725

SCHEMBL4041725

CCOC(=O)Oc1cc2c(s1)-c1ccc(OCCCN(C)C)cc1Oc1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.41
CACNA1H O95180 1/20 0.41
PDK2 Q15119 3/20 0.40
MAOB P27338 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BCHE P06276 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 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
SCHEMBL4045987 0.96 HDAC3 (0.41) CACNA1BCACNA1HPDK2MAOBALDH1A1
SCHEMBL4050340 0.94 CACNA1B (0.42) CACNA1BCACNA1HPDK2MAOBALDH1A1
SCHEMBL4046658 0.89 CACNA1B (0.44) CACNA1BCACNA1HPDK2MAOBALDH1A1
SCHEMBL4044883 0.86 CACNA1B (0.43) CACNA1BCACNA1HPDK2MAOBALDH1A1
SCHEMBL4043160 0.85 PPARG (0.43) MAOBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4051251 0.84 ACHE (0.44) MAOBACHE
SCHEMBL4049133 0.82 CACNA1B (0.44) CACNA1BCACNA1HPDK2MAOBALDH1A1
SCHEMBL4044268 0.82 CACNA1B (0.45) CACNA1BCACNA1HPDK2MAOBALDH1A1
SCHEMBL4048452 0.81 MEN1 (0.43) CACNA1BCACNA1HPDK2MAOBALDH1A1
SCHEMBL4044507 0.80 PDK2 (0.43) CACNA1BCACNA1HPDK2MAOBALDH1A1

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-1603921-B1 THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXOSMITHKLINE ZAGREB (HR) 2009-06-17 EP claimed