SCHEMBL813362

SCHEMBL813362

COCCCC(=O)OC(CC(=O)OCCOC)C(=O)OCCOC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.37
ALDH1A1 P00352 2/20 0.34
LMNA P02545 3/20 0.32
TSHR P16473 3/20 0.32
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10531325 0.76 DGKA (0.56) DGKAALDH1A1LMNAMAPTMAPK1
SCHEMBL10531328 0.76 DGKA (0.56) DGKAALDH1A1LMNAMAPTMAPK1
SCHEMBL2577738 0.74 ALDH1A1 (0.42) DGKAALDH1A1LMNATSHRMAPT
SCHEMBL10011326 0.73 MET (0.35) ALDH1A1TSHR
SCHEMBL12200847 0.73 DGKA (0.59) DGKAALDH1A1TSHRMAPT
SCHEMBL813660 0.72 DGKA (0.58) DGKAALDH1A1TSHRMAPT
SCHEMBL813905 0.72 DGKA (0.58) DGKAALDH1A1TSHRMAPT
SCHEMBL1033327 0.72 DGKA (0.64) DGKAALDH1A1TSHRMAPT
SCHEMBL10012410 0.72 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL10011622 0.72 CA12 (0.35) ALDH1A1TSHRMAPTMAPK1

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-7968668-B2 Diisocyanate terminated macromer and formulation thereof for use as an internal adhesive or sealant ETHICON INC. (US) 2011-06-28 US disclosed