SCHEMBL6910620

SCHEMBL6910620

COC(=O)CC(c1ccc(Cl)cc1)N(C(=O)OC(C)C)C(=O)[C@@H](N)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
FFAR2 O15552 1/20 0.33
PRCP P42785 2/20 0.33
KCNA5 P22460 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
AOC3 Q16853 2/20 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
SCHEMBL6910809 1.00 L3MBTL1 (0.36) L3MBTL1KMT2AMEN1CYP2D6CYP2C9
SCHEMBL5970095 1.00 L3MBTL1 (0.36) L3MBTL1KMT2AMEN1CYP2D6CYP2C9
SCHEMBL6914071 0.91 KCNA5 (0.34) L3MBTL1CYP2C19MAPTRAB9AKCNA5
SCHEMBL7479753 0.91 KCNA5 (0.34) L3MBTL1CYP2C19MAPTRAB9AKCNA5
SCHEMBL7478762 0.91 KCNA5 (0.34) L3MBTL1CYP2C19MAPTRAB9AKCNA5
SCHEMBL6911944 0.89 RAB9A (0.38) L3MBTL1KMT2AMEN1CYP2D6CYP2C9
SCHEMBL7481704 0.89 RAB9A (0.38) L3MBTL1KMT2AMEN1CYP2D6CYP2C9
SCHEMBL7482080 0.89 RAB9A (0.38) L3MBTL1KMT2AMEN1CYP2D6CYP2C9
SCHEMBL6913172 0.89 KMT2A (0.44) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL5026042 0.89 KMT2A (0.44) KMT2AMEN1CYP2D6CYP2C9CYP2C19

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-1028125-B1 Dipeptide compounds having fungicidal activity and their agronomic use ISAGRO RICERCA SRL (IT) 2004-01-28 EP claimed
EP-1028125-A1 Dipeptide compounds having fungicidal activity and their agronomic use Isagro Ricerca S.r.l. (IT) 2000-08-16 EP claimed