SCHEMBL2527693

SCHEMBL2527693

CC(C)CCCC(=O)OCCCCCC[O]

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.44
NAAA Q02083 1/20 0.40
HTR2C P28335 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
MAPT P10636 1/20 0.39
DNM1 Q05193 1/20 0.38
NOD1 Q9Y239 1/20 0.36
PTPN1 P18031 1/20 0.36
RARB P10826 1/20 0.36
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PLA2G2A P14555 2/20 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
SCHEMBL2525934 1.00 DGKA (0.44) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL2530041 0.98 DGKA (0.41) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL2528827 0.93 DGKA (0.42) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL2533185 0.91 NAAA (0.41) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL2529013 0.91 NAAA (0.41) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL28459279 0.91 DGKA (0.48) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL28457505 0.91 DGKA (0.48) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL28449398 0.91 DGKA (0.48) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL31509337 0.91 DGKA (0.48) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL17891958 0.91 DGKA (0.48) DGKANAAAHTR2CPRSS1PRSS2

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-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed