SCHEMBL21659321

SCHEMBL21659321

COCCOCCOC(=O)CCCCC(=O)OCCOCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.50
DGKA P23743 1/20 0.50
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MGLL Q99685 1/20 0.41
DNM1 Q05193 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 1/20 0.37
ABCB11 O95342 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADRA2B P18089 1/20 0.35
OPRD1 P41143 1/20 0.35
SCN5A Q14524 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
BLM P54132 1/20 0.34

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
SCHEMBL9903542 0.93 ALDH1A1 (0.50) EPHX2DGKAMEN1KMT2AMGLL
SCHEMBL821615 0.93 DGKA (0.52) EPHX2DGKAMEN1KMT2AMGLL
SCHEMBL31366939 0.93 EPHX2 (0.47) EPHX2DGKAMEN1KMT2AMGLL
SCHEMBL9903196 0.92 DGKA (0.57) EPHX2DGKADNM1MAPTALDH1A1
SCHEMBL2304415 0.92 DGKA (0.57) EPHX2DGKADNM1MAPTALDH1A1
SCHEMBL17998754 0.92 DGKA (0.57) EPHX2DGKADNM1MAPTALDH1A1
SCHEMBL9903608 0.92 DGKA (0.57) EPHX2DGKADNM1MAPTALDH1A1
SCHEMBL17084549 0.92 DGKA (0.57) EPHX2DGKADNM1MAPTALDH1A1
SCHEMBL13085900 0.91 DGKA (0.53) EPHX2DGKAMEN1KMT2AMGLL
SCHEMBL10309810 0.91 DGKA (0.53) EPHX2DGKAMEN1KMT2AMGLL

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-20200032032-A1 CELLULOSE ESTER COMPOSITION DAICEL POLYMER LTD (JP) 2020-01-30 US disclosed