SCHEMBL1415299

SCHEMBL1415299

C=CCC(C(=O)O)C(Br)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
CYP2C19 P33261 2/20 0.35
CPA1 P15085 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31

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
SCHEMBL1133379 0.78 GRIK1 (0.46) GRIK1GRIK2CYP2C19CPA1TDP1
SCHEMBL6242014 0.74 TDP1 (0.40) CYP2C19CPA1TDP1SLC1A3SLC1A2
SCHEMBL4798136 0.74 SLC1A3 (0.45) GRIK1GRIK2CYP2C19CPA1TDP1
SCHEMBL2987274 0.74 SLC1A3 (0.45) GRIK1GRIK2CYP2C19CPA1TDP1
SCHEMBL2987273 0.74 SLC1A3 (0.45) GRIK1GRIK2CYP2C19CPA1TDP1
SCHEMBL23688391 0.72 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1TDP1
SCHEMBL6530502 0.72 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1TDP1
SCHEMBL11199369 0.72 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1TDP1
SCHEMBL8020514 0.72 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1TDP1
SCHEMBL6530499 0.72 GRIK1 (0.39) GRIK1GRIK2CYP2C19CPA1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022229-B2 Process for the preparation of alkyl 5-(dicarboximido) levulinate and alkyl 4-oxo-pentenoate ALFA-SYNTHON AB (SE) 2011-09-20 US claimed
EP-1833790-B1 PROCESS FOR THE PREPARATION OF ALKYL 5-(DICARBOXIMIDO)LEVULINATE AND ALKYL 4-OXO-PENTENOATE ALFA SYNTHON AB (SE) 2011-03-16 EP claimed
US-20080027233-A1 Process for the Preparation of Alkyl 5-(Dicarboximido) Levulinate and Alkyl 4-Oxopentenoate ESQUIRE AB (SE) 2008-01-31 US claimed
EP-1833790-A1 PROCESS FOR THE PREPARATION OF ALKYL 5-(DICARBOXIMIDO)LEVULINATE AND ALKYL 4-OXO-PENTENOATE Biosynth AB (SE) 2007-09-19 EP claimed
WO-2006048236-A1 PROCESS FOR THE PREPARATION OF ALKYL 5- (DICARBOXIMIDO) LEVULINATE AND ALKYL 4-OXO-PENTENOATE BIOSYNTH AB (SE) 2006-05-11 WO claimed
US-8022229-B2 Process for the preparation of alkyl 5-(dicarboximido) levulinate and alkyl 4-oxo-pentenoate ALFA-SYNTHON AB (SE) 2011-09-20 US disclosed
EP-1833790-B1 PROCESS FOR THE PREPARATION OF ALKYL 5-(DICARBOXIMIDO)LEVULINATE AND ALKYL 4-OXO-PENTENOATE ALFA SYNTHON AB (SE) 2011-03-16 EP disclosed
US-20080027233-A1 Process for the Preparation of Alkyl 5-(Dicarboximido) Levulinate and Alkyl 4-Oxopentenoate ESQUIRE AB (SE) 2008-01-31 US disclosed
EP-1833790-A1 PROCESS FOR THE PREPARATION OF ALKYL 5-(DICARBOXIMIDO)LEVULINATE AND ALKYL 4-OXO-PENTENOATE Biosynth AB (SE) 2007-09-19 EP disclosed
WO-2006048236-A1 PROCESS FOR THE PREPARATION OF ALKYL 5- (DICARBOXIMIDO) LEVULINATE AND ALKYL 4-OXO-PENTENOATE BIOSYNTH AB (SE) 2006-05-11 WO disclosed