SCHEMBL4599678

SCHEMBL4599678

COc1ccccc1C(OC)N1C[C@@H](c2ccc(OS(=O)(=O)c3ccccc3)cc2)OCC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TDP1 Q9NUW8 3/20 0.34
PARL Q9H300 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ENPP3 O14638 2/20 0.32
ENPP1 P22413 2/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
CA2 P00918 1/20 0.32
ENPP2 Q13822 1/20 0.32
CA9 Q16790 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4599776 0.82 KMT2A (0.35) MAOBGAAALDH1A1NPC1RAB9A
SCHEMBL2291079 0.81 KMT2A (0.40) MAOBGAAALDH1A1NPC1RAB9A
SCHEMBL2299518 0.81 KMT2A (0.40) MAOBGAAALDH1A1NPC1RAB9A
SCHEMBL2291885 0.81 KMT2A (0.40) MAOBGAAALDH1A1NPC1RAB9A
SCHEMBL2299366 0.81 KMT2A (0.40) MAOBGAAALDH1A1NPC1RAB9A
SCHEMBL2298990 0.78 CYP3A4 (0.45) MAOBGAAALDH1A1NPC1RAB9A
SCHEMBL2290885 0.78 CYP3A4 (0.45) MAOBGAAALDH1A1NPC1RAB9A
SCHEMBL2297009 0.76 ALDH1A1 (0.42) MAOBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2297681 0.76 ALDH1A1 (0.42) MAOBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL2298998 0.76 ALDH1A1 (0.42) MAOBALDH1A1SMN1; SMN2MAPTKDM4E

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-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed