SCHEMBL8846672

SCHEMBL8846672

CCCP(=O)(O)N(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.37
LPAR3 Q9UBY5 3/20 0.37
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP3 P08254 2/20 0.37
MMP8 P22894 2/20 0.37
LPAR2 Q9HBW0 1/20 0.37
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
GABBR2 O75899 1/20 0.33
GABRR1 P24046 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33

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
SCHEMBL9561646 0.78 FDPS (0.40) FDPSMMP1MMP2MMP3MMP8
SCHEMBL1097717 0.74 FDPS (0.37) FDPSMMP1MMP2MMP3MMP8
SCHEMBL181792 0.71
SCHEMBL11731209 0.71 FDPS (0.43) FDPSLPAR3MMP1MMP2MMP3
SCHEMBL2961086 0.71
SCHEMBL22388991 0.69 FDPS (0.35) FDPSLPAR3LPAR2S1PR2S1PR1
SCHEMBL9622634 0.68 TP53 (0.31)
SCHEMBL11326700 0.68 FDPS (0.44) FDPSLPAR3MMP1MMP2MMP3
SCHEMBL55254 0.67
SCHEMBL497156 0.67

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-0644206-B1 Olefin polymerization catalyst and process for preparing polyolefin SHOWA DENKO KK (JP) 1997-12-29 EP disclosed
EP-0644206-A1 Olefin polymerization catalyst and process for preparing polyolefin SHOWA DENKO KABUSHIKI KAISHA (JP) 1995-03-22 EP disclosed