SCHEMBL11249003

SCHEMBL11249003

CCCC(=O)OCCOCCOCCOCCOCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.50
EPHX2 P34913 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 3/20 0.46
ALDH1A1 P00352 4/20 0.44
MGLL Q99685 1/20 0.44
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL13220469 1.00 DGKA (0.50) DGKAEPHX2MEN1KMT2AMAPT
SCHEMBL28861485 1.00 DGKA (0.50) DGKAEPHX2MEN1KMT2AMAPT
SCHEMBL10954523 1.00 DGKA (0.50) DGKAEPHX2MEN1KMT2AMAPT
SCHEMBL1362180 1.00 DGKA (0.50) DGKAEPHX2MEN1KMT2AMAPT
SCHEMBL3693559 1.00 DGKA (0.50) DGKAEPHX2MEN1KMT2AMAPT
Butane SCHEMBL10718346 0.98 EPHX2 (0.49) DGKAEPHX2MEN1KMT2AMAPT
Methoxymethane SCHEMBL19666691 0.96 EPHX2 (0.48) DGKAEPHX2MEN1KMT2AMAPT
Ethylene SCHEMBL2456503 0.96 EPHX2 (0.48) DGKAEPHX2MEN1KMT2AMAPT
Ether SCHEMBL19666687 0.94 EPHX2 (0.47) DGKAEPHX2MEN1KMT2AMAPT
SCHEMBL19666635 0.93 TSHR (0.61) DGKAEPHX2MEN1KMT2AMAPT

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-4358329-A ADHESIVE MATERIAL OF POLYVINYL BUTYRAL, AN ACRYLIC RESIN OR A POLYESTER, AND A PLASTICIZER SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1982-11-09 US disclosed