SCHEMBL6289744

SCHEMBL6289744

NC(=O)NCCCOCCCO

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
ACHE P22303 7/20 0.37
TSHR P16473 3/20 0.37
CA2 P00918 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RECQL P46063 1/20 0.33

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
Ethylene Glycol SCHEMBL8958389 0.94 GAA (0.40) GAAACHETSHRCA2TDP1
SCHEMBL8958415 0.91 TSHR (0.41) GAAACHETSHRCA2TDP1
SCHEMBL8958400 0.89 CA2 (0.42) TSHRCA2TDP1MAPTHSD17B10
SCHEMBL12461744 0.89 CA2 (0.42) TSHRCA2TDP1MAPTHSD17B10
SCHEMBL193545 0.82
SCHEMBL15019063 0.82 EPHX2 (0.43) ACHETSHRMAPTHSD17B10RECQL
SCHEMBL22970104 0.82 CA2 (0.39) GAATSHRCA2TDP1MAPT
SCHEMBL6284265 0.82 TSHR (0.39) ACHETSHRCA2MAPTHSD17B10
SCHEMBL22609435 0.81 GAA (0.40) GAAACHETSHRTDP1MAPT
Ethylene Glycol SCHEMBL8958377 0.80 CA2 (0.46) GAAACHETSHRCA2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed