SCHEMBL6910876

SCHEMBL6910876

CC(N)C(C)CC1CC=CCC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
PKM P14618 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
SCHEMBL6908704 0.86 CYP2D6 (0.31)
SCHEMBL6905685 0.84 KDM4E (0.36) KDM4EALDH1A1TDP1POLBMAPK1
SCHEMBL1525278 0.79 KDM4E (0.41) KDM4EALDH1A1TDP1POLBMAPK1
SCHEMBL6911566 0.77 KDM4E (0.35) KDM4EALDH1A1TDP1POLBPKM
SCHEMBL12708705 0.76 KDM4E (0.31) KDM4EALDH1A1TDP1
SCHEMBL12532460 0.76 KDM4E (0.39) KDM4EALDH1A1TDP1POLBMAPK1
SCHEMBL18030165 0.76 KDM4E (0.39) KDM4EALDH1A1TDP1POLBMAPK1
SCHEMBL1679392 0.74
SCHEMBL13128070 0.73 KDM4E (0.36) KDM4EALDH1A1TDP1PKM
SCHEMBL6907802 0.73 KDM4E (0.35) KDM4EALDH1A1TDP1POLBPKM

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