SCHEMBL8816772

SCHEMBL8816772

[O]C(=O)CCCOC(=O)CCCF

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.41
HTR2C P28335 1/20 0.37
CYP1A2 P05177 1/20 0.36
ADRA2A P08913 1/20 0.34
ADRA1A P35348 1/20 0.34
DNM1 Q05193 1/20 0.34
MAPT P10636 2/20 0.33
BLM P54132 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ALDH1A1 P00352 2/20 0.33
THRB P10828 1/20 0.33
CNR1 P21554 1/20 0.33
NAAA Q02083 1/20 0.32
TSHR P16473 2/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL31504176 0.82 DGKA (0.46) DGKAHTR2CCYP1A2ADRA2AADRA1A
SCHEMBL15854765 0.80 HTR2C (0.47) DGKAHTR2CCYP1A2ADRA2AADRA1A
SCHEMBL27532241 0.79 DGKA (0.61) DGKAHTR2CCYP1A2DNM1MAPT
SCHEMBL11257090 0.79 DGKA (0.61) DGKAHTR2CDNM1MAPTPRSS1
SCHEMBL1031828 0.79
SCHEMBL26130094 0.77 DGKA (0.57) DGKAHTR2CCYP1A2ADRA2AADRA1A
SCHEMBL28707423 0.76 DGKA (0.68) DGKAHTR2CDNM1MAPTPRSS1
SCHEMBL27847362 0.75 DGKA (0.48) DGKAHTR2CCYP1A2ADRA2AADRA1A
SCHEMBL3478460 0.74 NAAA (0.59) DGKAHTR2CCYP1A2ADRA2AADRA1A
SCHEMBL316947 0.73 DGKA (0.64) DGKAHTR2CDNM1MAPTPRSS1

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
WO-1997030060-A1 SUBSTITUTED AROMATIC PHOSPHONIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1997-08-21 WO disclosed