SCHEMBL6911944

SCHEMBL6911944

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.36
OPRM1 P35372 3/20 0.36
OPRD1 P41143 3/20 0.36
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
AOC3 Q16853 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALOX5 P09917 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.35
TNF P01375 1/20 0.34

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
SCHEMBL7482080 1.00 RAB9A (0.38) RAB9ASMN1; SMN2NPC1CYP1A2CYP2D6
SCHEMBL7481704 1.00 RAB9A (0.38) RAB9ASMN1; SMN2NPC1CYP1A2CYP2D6
SCHEMBL6914071 0.91 KCNA5 (0.34) RAB9ACYP2C19ALDH1A1L3MBTL1ALOX5
SCHEMBL7478762 0.91 KCNA5 (0.34) RAB9ACYP2C19ALDH1A1L3MBTL1ALOX5
SCHEMBL7479753 0.91 KCNA5 (0.34) RAB9ACYP2C19ALDH1A1L3MBTL1ALOX5
SCHEMBL5970095 0.89 L3MBTL1 (0.36) RAB9ASMN1; SMN2CYP2D6CYP2C9CYP2C19
SCHEMBL6910620 0.89 L3MBTL1 (0.36) RAB9ASMN1; SMN2CYP2D6CYP2C9CYP2C19
SCHEMBL6910809 0.89 L3MBTL1 (0.36) RAB9ASMN1; SMN2CYP2D6CYP2C9CYP2C19
SCHEMBL7473573 0.86 HTT (0.44) RAB9AKMT2AL3MBTL1MEN1
SCHEMBL7470788 0.86 HTT (0.44) RAB9AKMT2AL3MBTL1MEN1

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 5 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
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