SCHEMBL7900167

SCHEMBL7900167

CCCCCCCOC(=O)CCCCCCN.CCCCCCCOC(=O)CCCCCCNC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.54
HTR2C P28335 1/20 0.52
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
TLR2 O60603 4/20 0.50
SLC6A5 Q9Y345 2/20 0.50
EPHX2 P34913 7/20 0.49
FAAH O00519 1/20 0.47
DNM1 Q05193 1/20 0.47

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
SCHEMBL7900237 1.00 DGKA (0.54) DGKAHTR2CPRSS1PRSS2PRSS3
SCHEMBL7900172 1.00 DGKA (0.54) DGKAHTR2CPRSS1PRSS2PRSS3
SCHEMBL7890310 1.00 DGKA (0.54) DGKAHTR2CPRSS1PRSS2PRSS3
SCHEMBL7890486 1.00 DGKA (0.54) DGKAHTR2CPRSS1PRSS2PRSS3
SCHEMBL7901960 1.00 DGKA (0.54) DGKAHTR2CPRSS1PRSS2PRSS3
SCHEMBL7901887 1.00 DGKA (0.54) DGKAHTR2CPRSS1PRSS2PRSS3
SCHEMBL7901921 1.00 DGKA (0.54) DGKAHTR2CPRSS1PRSS2PRSS3
SCHEMBL7898235 1.00 DGKA (0.54) DGKAHTR2CPRSS1PRSS2PRSS3
SCHEMBL7898725 1.00 DGKA (0.54) DGKAHTR2CPRSS1PRSS2PRSS3
SCHEMBL7901777 1.00 DGKA (0.54) DGKAHTR2CPRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187938-B1 TRANSDERMAL PENETRATION ENHANCERS BOCHEMIE, S.R.O. (CZ) 2001-02-13 US disclosed
EP-0973710-A2 OMEGA-AMINO ACID DERIVATIVES, PROCESSES OF THEIR PREPARATION AND THEIR USE Bochemie S.R.O. (CZ) 2000-01-26 EP disclosed
WO-1998045233-A2 OMEGA-AMINO ACID DERIVATIVES, PROCESSES OF THEIR PREPARATION AND THEIR USE BOCHEMIE S.R.O. (CZ) 1998-10-15 WO disclosed