SCHEMBL6231965

SCHEMBL6231965

O=C[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
LAP3 P28838 1/20 0.43
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HCAR2 Q8TDS4 1/20 0.41
CTSB P07858 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
LMNA P02545 2/20 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
SCHEMBL10509257 0.89 LTA4H (0.45) LTA4HSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL10511795 0.89 LTA4H (0.45) LTA4HSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL10511562 0.89 LTA4H (0.45) LTA4HSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL10740109 0.89 LTA4H (0.45) LTA4HSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL10508832 0.86 SLC1A3 (0.46) LTA4HLAP3SLC1A3SLC1A2SLC1A1
SCHEMBL10507064 0.86 SLC1A3 (0.46) LTA4HLAP3SLC1A3SLC1A2SLC1A1
SCHEMBL10510398 0.86 SLC1A3 (0.46) LTA4HLAP3SLC1A3SLC1A2SLC1A1
SCHEMBL10511826 0.86 SLC1A3 (0.46) LTA4HLAP3SLC1A3SLC1A2SLC1A1
SCHEMBL10510304 0.86 SLC1A3 (0.46) LTA4HLAP3SLC1A3SLC1A2SLC1A1
SCHEMBL20578207 0.82 CYP2C19 (0.43) SLC1A3SLC1A2SLC1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307446-B1 PERFLUOROALKYL-CONTAINING COMPLEXES COMPRISING SUGAR RESIDUES, METHOD FOR PRODUCING THE SAME AND USE THEREOF SCHERING AG (DE) 2005-04-20 EP disclosed
EP-1307236-A2 USE OF METAL COMPLEXES CONTAINING PERFLUOROALKYL AS CONTRAST AGENTS IN MR-IMAGING FOR THE REPRESENTATION OF PLAQUES, TUMOURS AND NECROSES SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-07 EP disclosed
EP-1307446-A1 PERFLUOROALKYL-CONTAINING COMPLEXES COMPRISING SUGAR RESIDUES, METHOD FOR PRODUCING THE SAME AND USE THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-07 EP disclosed
WO-2002013874-A2 USE OF METAL COMPLEXES CONTAINING PERFLUOROALKYL AS CONTRAST AGENTS IN MR-IMAGING FOR THE REPRESENTATION OF PLAQUES, TUMOURS AND NECROSES SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-21 WO disclosed
WO-2002014309-A1 PERFLUOROALKYL-CONTAINING COMPLEXES COMPRISING SUGAR RESIDUES, METHOD FOR PRODUCING THE SAME AND USE THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-21 WO disclosed