SCHEMBL6905760

SCHEMBL6905760

CCNC1CC=C(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNA7 P36544 1/20 0.33
STAT3 P40763 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTPN1 P18031 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
SLC6A2 P23975 2/20 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
SCHEMBL6910114 0.85 DRD2 (0.42) LMNADRD2DRD4DRD3
SCHEMBL24348618 0.84 DRD2 (0.36) LMNADRD2DRD4DRD3KCNH2
SCHEMBL14562079 0.82 DRD2 (0.43) LMNADRD2DRD4DRD3
SCHEMBL6913016 0.79
SCHEMBL13785261 0.78 DRD2 (0.36) DRD2DRD4DRD3KCNH2SLC6A2
SCHEMBL5864334 0.77
SCHEMBL22996373 0.75
SCHEMBL22102444 0.72 LMNA (0.40) LMNADRD2DRD3MEN1CYP3A4
SCHEMBL13734425 0.71 POLB (0.45) LMNACYP3A4ALOX15MAPK1NPC1
SCHEMBL24019122 0.69 ALDH1A1 (0.42) MEN1ALOX15KMT2ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066337-B1 OXYGEN SCAVENGERS WITH REDUCED OXIDATION PRODUCTS FOR USE IN PLASTIC FILMS AND BEVERAGE AND FOOD CONTAINERS CHEVRON PHILLIPS CHEMICAL CO (US) 2004-11-03 EP claimed