SCHEMBL11409103

SCHEMBL11409103

CCCCOC(CC)OC(=O)CCCCC(=O)OC(CC)OCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
MAPT P10636 3/20 0.49
MAPK1 P28482 3/20 0.49
ALDH1A1 P00352 1/20 0.46
DGKA P23743 1/20 0.46
PRKCA P17252 1/20 0.42
PRKCE Q02156 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCD Q05655 1/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 3/20 0.41
MEN1 O00255 1/20 0.40
GMNN O75496 1/20 0.40
HSP90AA1 P07900 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL1091480 0.98 LMNA (0.55) LMNAMAPTMAPK1ALDH1A1DGKA
SCHEMBL1091831 0.98 LMNA (0.55) LMNAMAPTMAPK1ALDH1A1DGKA
SCHEMBL3663825 0.96 LMNA (0.58) LMNAMAPTMAPK1ALDH1A1DGKA
SCHEMBL3652141 0.96 LMNA (0.58) LMNAMAPTMAPK1ALDH1A1DGKA
SCHEMBL3656308 0.96 LMNA (0.58) LMNAMAPTMAPK1ALDH1A1DGKA
SCHEMBL3658936 0.96 LMNA (0.58) LMNAMAPTMAPK1ALDH1A1DGKA
SCHEMBL11409116 0.93 AKR1B1 (0.47) LMNAMAPTMAPK1ALDH1A1TSHR
SCHEMBL10918420 0.92 LMNA (0.49) LMNAMAPTMAPK1ALDH1A1DGKA
SCHEMBL27710504 0.89 LMNA (0.47) LMNAMAPTMAPK1ALDH1A1DGKA
SCHEMBL3658749 0.88 PRKCA (0.54) LMNAMAPTALDH1A1DGKAPRKCA

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-0035389-A2 Process for preparing integral skin microcellular polyester base polyurethane elastomers, the elastomers per se isocyanate curable compositions and two component combinations for producing the elastomers and cast shoe soles attached to shoe uppers PLASTICS TECHNOLOGY ASSOCIATES, INC. (US) 1981-09-09 EP disclosed