SCHEMBL5484067

SCHEMBL5484067

C=CC1CCCO1.C=Cn1ccnc1C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BRD4 O60885 1/20 0.32

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
SCHEMBL36575 0.76
Hydrochloric Acid SCHEMBL1007846 0.75
SCHEMBL12513244 0.71
SCHEMBL12060984 0.71
SCHEMBL37019 0.71
SCHEMBL28815407 0.70 LMNA (0.44) CYP3A4CYP2C9CYP2C19LMNATDP1
Methoxymethane SCHEMBL27641864 0.68 TDP1 (0.40) TDP1
SCHEMBL12060989 0.65
SCHEMBL896226 0.65
Acrylamide SCHEMBL11786592 0.65 LMNA (0.40) CYP3A4CYP2C9CYP2C19LMNATDP1

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
US-20070117948-A1 Mixtures for producing reactive hot melt adhesives and reactive hot melt adhesives obtained on the basis thereof ROEHM GMBH & CO. KG (DE) 2007-05-24 US disclosed