SCHEMBL6662429

SCHEMBL6662429

CCCC(OOC(C)(C)CC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARG P37231 4/20 0.37
PPARA Q07869 4/20 0.37
CA2 P00918 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
NFKB1 P19838 2/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL5009821 0.89 CA2 (0.44) PPARGCA2MAPK1SLC1A3SLC1A2
SCHEMBL2777803 0.88 GPR84 (0.42) CA2MAPK1SLC1A2SLC1A1GRIK1
SCHEMBL786911 0.86 GPR84 (0.44) CA2MAPK1SLC1A2SLC1A1GRIK1
SCHEMBL2140068 0.86 GPR84 (0.44) CA2MAPK1SLC1A2SLC1A1GRIK1
SCHEMBL2137993 0.86 GPR84 (0.44) CA2MAPK1SLC1A2SLC1A1GRIK1
SCHEMBL9143515 0.86 CHRM1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL4531236 0.85 SMN1; SMN2 (0.35) TDP1CA2MAPK1TSHR
SCHEMBL2230618 0.85 CHRM1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL6662607 0.83 CYP4F2 (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2027420 0.81 TDP1 (0.32) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322701-B1 SCORCH-DELAYING COMPOSITION ATOFINA (FR) 2004-11-24 EP disclosed
EP-1322696-B1 COMPOSITION COMPRISING A NITROXIDE, A PROMOTER AND OPTIONALLY A FREE RADICAL INITIATOR ATOFINA (FR) 2004-08-25 EP disclosed
EP-1322696-A1 COMPOSITION COMPRISING A NITROXIDE, A PROMOTER AND OPTIONALLY A FREE RADICAL INITIATOR Atofina (FR) 2003-07-02 EP disclosed
EP-1322701-A2 SCORCH-DELAYING COMPOSITION Atofina (FR) 2003-07-02 EP disclosed
WO-2002028946-A1 COMPOSITION COMPRISING A NITROXIDE, A PROMOTER AND OPTIONALLY A FREE RADICAL INITIATOR ATOFINA (FR) 2002-04-11 WO disclosed
WO-2002028950-A2 SCORCH-DELAYING COMPOSITION ATOFINA (FR) 2002-04-11 WO disclosed