SCHEMBL8923754

SCHEMBL8923754

[CH2]CCCOC(=O)CCCNCCCC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.50
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
EPHX2 P34913 4/20 0.44
DNM1 Q05193 1/20 0.42
ACHE P22303 7/20 0.42
NAAA Q02083 1/20 0.42
HTR2C P28335 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL8924745 0.90 DGKA (0.51) DGKAPRSS1PRSS2PRSS3EPHX2
SCHEMBL8925028 0.87 DGKA (0.56) DGKAPRSS1PRSS2PRSS3EPHX2
SCHEMBL8924508 0.86 DGKA (0.59) DGKAPRSS1PRSS2PRSS3EPHX2
SCHEMBL8923376 0.86 DGKA (0.59) DGKAPRSS1PRSS2PRSS3EPHX2
SCHEMBL667190 0.86 DGKA (0.61) DGKAPRSS1PRSS2PRSS3EPHX2
Dibutyl Sebacate SCHEMBL27851891 0.84 DGKA (0.66) DGKAPRSS1PRSS2PRSS3EPHX2
SCHEMBL6437701 0.84 DGKA (0.70) DGKAPRSS1PRSS2PRSS3EPHX2
SCHEMBL7282921 0.84 DGKA (0.59) DGKAPRSS1PRSS2PRSS3DNM1
SCHEMBL22515387 0.83 DGKA (0.63) DGKAPRSS1PRSS2PRSS3EPHX2
SCHEMBL7838151 0.82 DGKA (0.74) DGKAPRSS1PRSS2PRSS3DNM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed