SCHEMBL28028188

SCHEMBL28028188

[CH2]CCCOC(=O)CCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.42
MGLL Q99685 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
CAMK2A Q9UQM7 1/20 0.37
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
DNM1 Q05193 1/20 0.35
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
HTR2C P28335 1/20 0.34
NAAA Q02083 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 3/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
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
SCHEMBL28454167 0.92 DGKA (0.48) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL2160340 0.86 DGKA (0.48) DGKAMGLLPRSS1PRSS2PRSS3
SCHEMBL28447044 0.86 DGKA (0.47) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL28454093 0.86 DGKA (0.47) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL7725825 0.84 DGKA (0.46) DGKAMGLLPRSS1PRSS2PRSS3
SCHEMBL1592226 0.82 DGKA (0.50) DGKAMGLLPRSS1PRSS2PRSS3
SCHEMBL2353637 0.81 DGKA (0.48) DGKAMGLLPRSS1PRSS2PRSS3
SCHEMBL13818881 0.81 MGLL (0.50) DGKAMGLLCAMK2AADRA2AADRA1A
SCHEMBL749774 0.81 DGKA (0.54) DGKAMGLLPRSS1PRSS2PRSS3
SCHEMBL667190 0.81 DGKA (0.61) DGKAMGLLPRSS1PRSS2PRSS3

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
CN-103044197-B Technological method for purifying1,4-butanediol and co-producing gamma-butyrolactone CHINA PETROLEUM & CHEMICAL 2015-07-22 CN disclosed