SCHEMBL7365620

SCHEMBL7365620

CCOC(=O)CCNCC(CP(=O)(O)O)C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TOP2A P11388 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7316396 0.75 MME (0.53) POLB
Phosphoric Acid SCHEMBL5804027 0.75 CYP3A4 (0.46) LTA4HSMN1; SMN2TOP2APOLB
SCHEMBL10790828 0.74 MME (0.52) POLB
SCHEMBL27439930 0.71 PRSS1 (0.71) SMN1; SMN2TOP2APOLBL3MBTL1
SCHEMBL512494 0.71 CYP3A4 (0.49) LTA4HTOP2A
SCHEMBL10258404 0.71 CYP3A4 (0.49) LTA4HTOP2A
SCHEMBL7708927 0.71 NPC1 (0.48) SMN1; SMN2POLBL3MBTL1
Oxalic Acid SCHEMBL10964286 0.69 CYP3A4 (0.47) LTA4HSMN1; SMN2TOP2A
SCHEMBL8657200 0.69 L3MBTL1 (0.59) SMN1; SMN2TOP2AL3MBTL1
SCHEMBL29029672 0.69 SMN1; SMN2 (0.48) SMN1; SMN2TOP2APOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0117429-A1 Phosphorous containing compounds as inhibitors of enkephalinases SCHERING CORPORATION (US) 1984-09-05 EP disclosed