SCHEMBL6801964

SCHEMBL6801964

C[C@H](O)CNc1ccc(C(=O)O)cc1S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
SYK P43405 10/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
PLEC Q15149 1/20 0.41
NEU3 Q9UQ49 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CDC25B P30305 1/20 0.39
HCAR3 P49019 1/20 0.39

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
SCHEMBL6801960 1.00 NPSR1 (0.43) NPSR1SYKKDM4EALDH1A1GAA
SCHEMBL8915940 0.86 VCAM1 (0.47) SYKKDM4EALDH1A1MAPTHPGD
SCHEMBL8983614 0.82 SLC9A1 (0.61)
SCHEMBL8983588 0.82 SLC9A1 (0.61)
SCHEMBL8983574 0.81 SLC9A1 (0.38) SYK
SCHEMBL8983612 0.81 SLC9A1 (0.38) SYK
SCHEMBL8983581 0.81 SLC9A1 (0.38) SYK
SCHEMBL9190020 0.80 HCAR3 (0.55) NPSR1KDM4EHTTNEU3L3MBTL1
SCHEMBL9196904 0.78 L3MBTL1 (0.50) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL13805751 0.77 HCAR3 (0.51) NPSR1KDM4EALDH1A1GAAMAPT

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
US-20040116709-A1 Process for producing optically active n-aryl-1-amino-2-propanol derivatives KANEKA CORPORATION (JP) 2004-06-17 US disclosed
EP-1367053-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE N-ARYL-1-AMINO-2-PROPANOL DERIVATIVES KANEKA CORPORATION (JP) 2003-12-03 EP disclosed