SCHEMBL27768581

SCHEMBL27768581

NCC(=O)CC(O)CCO

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
GABRR1 P24046 5/20 0.36
LMNA P02545 1/20 0.36
SLC22A6 Q4U2R8 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
SCHEMBL16690276 0.85 THRB (0.46) THRBGABRR1LMNASLC22A6
SCHEMBL18782546 0.85 THRB (0.46) THRBGABRR1LMNASLC22A6
SCHEMBL27878488 0.80
SCHEMBL10351332 0.79 GPR84 (0.41) GABRR1LMNA
SCHEMBL391722 0.77 THRB (0.39) THRB
SCHEMBL5107560 0.77 THRB (0.39) THRB
SCHEMBL15871153 0.77
SCHEMBL28612466 0.75
SCHEMBL5222531 0.74 THRB (0.40) THRB
SCHEMBL16468096 0.74 THRB (0.40) THRB

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-101489421-A Improvements in or relating to edible inks SUN CHEMICAL CORP (US) 2009-07-22 CN disclosed