SCHEMBL28104396

SCHEMBL28104396

CCCCOCCOC(=O)C=Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 5/20 0.62
AKR1B1 P15121 5/20 0.62
APP P05067 6/20 0.56
LMNA P02545 1/20 0.54
MAOB P27338 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51

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
SCHEMBL13387859 1.00 AKR1B10 (0.62) AKR1B10AKR1B1APPLMNAMAOB
Butyl Cinnamate SCHEMBL5314386 0.91 APP (0.65) AKR1B10AKR1B1APPLMNAMAOB
Butyl Cinnamate SCHEMBL119511 0.91 APP (0.65) AKR1B10AKR1B1APPLMNAMAOB
Butyl Cinnamate SCHEMBL119510 0.91 APP (0.65) AKR1B10AKR1B1APPLMNAMAOB
SCHEMBL18393355 0.89 AKR1B10 (0.76) AKR1B10AKR1B1APPLMNAMAOB
SCHEMBL15929684 0.89 AKR1B10 (0.76) AKR1B10AKR1B1APPLMNAMAOB
SCHEMBL18404759 0.89 AKR1B10 (0.76) AKR1B10AKR1B1APPLMNAMAOB
SCHEMBL29153490 0.88 AKR1B10 (0.66) AKR1B10AKR1B1APPLMNAMAOB
SCHEMBL29153491 0.88 AKR1B10 (0.66) AKR1B10AKR1B1APPLMNAMAOB
Butyl Cinnamate SCHEMBL27987671 0.87 APP (0.58) AKR1B10AKR1B1APPLMNAALDH1A1

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
CN-103492496-B Blend composition, flexible pipe material and method for manufacturing blend SAINT-GOBAIN PERFORMANCE PLASTICS CORP. (US) 2016-11-30 CN disclosed