SCHEMBL9000183

SCHEMBL9000183

CCS(=O)(CC)(Cn1cncn1)P(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.45
EGLN3 Q9H6Z9 1/20 0.38
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP19A1 P11511 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL10959321 0.67 FDPS (0.56) FDPSEGLN3HDAC1HDAC6CYP19A1
SCHEMBL9000195 0.64 FDPS (0.51) FDPSEGLN3HDAC1HDAC6
SCHEMBL7467004 0.63
SCHEMBL9000200 0.62 FDPS (0.49) FDPSEGLN3HDAC1HDAC6
SCHEMBL9000142 0.62 FDPS (0.49) FDPSEGLN3
SCHEMBL10925105 0.61 FDPS (0.45) FDPSEGLN3CYP19A1
SCHEMBL10882663 0.61 FDPS (0.53) FDPSEGLN3MAPT
SCHEMBL45842 0.60
SCHEMBL10626196 0.60 FDPS (0.70) FDPSEGLN3
SCHEMBL406066 0.60

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-0730408-A1 TRIAZOLE PHOSPHONATE PESTICIDES AgrEvo UK Limited (GB) 1996-09-11 EP disclosed
WO-1995014385-A1 TRIAZOLE PHOSPHONATE PESTICIDES AGREVO UK LIMITED (GB) 1995-06-01 WO disclosed