SCHEMBL6905273

SCHEMBL6905273

CC(C)OC(=O)N(C(=O)[C@@H](N)C(C)C)C(CC(=O)O)c1nc2cc(Cl)ccc2s1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.41
PPARA Q07869 9/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SENP7 Q9BQF6 1/20 0.38
ALOX5 P09917 3/20 0.36
LOXL2 Q9Y4K0 1/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL7479002 0.91 SENP7 (0.38) AKR1B1PPARAHDAC6SENP7ALOX5
SCHEMBL7478255 0.91 SENP7 (0.38) AKR1B1PPARAHDAC6SENP7ALOX5
SCHEMBL6910902 0.91 SENP7 (0.38) AKR1B1PPARAHDAC6SENP7ALOX5
SCHEMBL6912020 0.87 PKM (0.45) AKR1B1ALOX5LOXL2LMNAHTT
SCHEMBL6910671 0.84 PPARA (0.43) AKR1B1PPARAHDAC6SENP7ALOX5
SCHEMBL6913172 0.79 KMT2A (0.44) MEN1LMNAKMT2AHSD17B10CYP1A2
SCHEMBL5026042 0.79 KMT2A (0.44) MEN1LMNAKMT2AHSD17B10CYP1A2
SCHEMBL5023731 0.79 KMT2A (0.44) MEN1LMNAKMT2AHSD17B10CYP1A2
SCHEMBL7473224 0.77 TSHR (0.43) ALOX5LOXL2MEN1LMNAMAPT
SCHEMBL6914078 0.77 TSHR (0.43) ALOX5LOXL2MEN1LMNAMAPT

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 3 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 disclosed
US-6448228-B1 FUNCTIONALIZED OLIGOPEPTIDE HAVING HIGH FUNGICIDAL ACTIVITY; ONE OR TWO ALIPHATIC AMINO ACIDS SUCH AS VALINE, LEUCINE AND ISOLEUCINE, CONJUGATED TO ONE OR TWO AROMATIC AMINO ACIDS, SUCH AS PHENYL-GLYCINE, PHENYLALANINE AND BETA-PHENYLALANINE ISAGRO RICERCA S.R.L. (IT) 2002-09-10 US disclosed
EP-1028125-A1 Dipeptide compounds having fungicidal activity and their agronomic use Isagro Ricerca S.r.l. (IT) 2000-08-16 EP disclosed