SCHEMBL4599475

SCHEMBL4599475

CC(c1ccc(O)cc1)N1CCO[C@@H](c2ccc(OS(=O)(=O)c3ccccc3)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MOGAT2 Q3SYC2 1/20 0.39
LTA4H P09960 2/20 0.37
CHRM2 P08172 6/20 0.37
CHRM1 P11229 6/20 0.37
TDP1 Q9NUW8 1/20 0.35
ADAMTS4 O75173 1/20 0.35
MAOB P27338 1/20 0.34
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL2294378 0.93 MOGAT2 (0.40) MOGAT2LTA4HCHRM2CHRM1TDP1
SCHEMBL2296254 0.93 MOGAT2 (0.40) MOGAT2LTA4HCHRM2CHRM1TDP1
SCHEMBL4164179 0.93 MOGAT2 (0.40) MOGAT2LTA4HCHRM2CHRM1TDP1
SCHEMBL2296987 0.93 MOGAT2 (0.40) MOGAT2LTA4HCHRM2CHRM1TDP1
SCHEMBL2294004 0.93 MOGAT2 (0.40) MOGAT2LTA4HCHRM2CHRM1TDP1
SCHEMBL2298478 0.87 ALDH1A1 (0.40) MOGAT2LTA4HCHRM2CHRM1ENPP3
SCHEMBL2296904 0.87 ALDH1A1 (0.40) MOGAT2LTA4HCHRM2CHRM1ENPP3
SCHEMBL2294612 0.87 ALDH1A1 (0.40) MOGAT2LTA4HCHRM2CHRM1ENPP3
SCHEMBL2294288 0.87 ALDH1A1 (0.40) MOGAT2LTA4HCHRM2CHRM1ENPP3
SCHEMBL2296463 0.83 MOGAT2 (0.43) MOGAT2LTA4HCHRM2CNR2

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