SCHEMBL2525616

SCHEMBL2525616

CCCCC(=O)OCCCC[O]

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.61
NAAA Q02083 1/20 0.55
HTR2C P28335 1/20 0.53
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
DNM1 Q05193 1/20 0.50
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FAAH O00519 1/20 0.46
PAM P19021 2/20 0.46
EPHX2 P34913 3/20 0.45
ALDH1A1 P00352 1/20 0.45
MGLL Q99685 1/20 0.44
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL2529577 0.98 DGKA (0.64) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL2531855 0.98 DGKA (0.64) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL2527426 0.94 DGKA (0.70) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL2529870 0.94 DGKA (0.63) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL7695250 0.92 DGKA (0.74) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL7688943 0.92 DGKA (0.74) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL2529725 0.92 DGKA (0.74) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL2532102 0.92 DGKA (0.74) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL2523641 0.92 DGKA (0.74) DGKANAAAHTR2CPRSS1PRSS2
SCHEMBL2533166 0.92 DGKA (0.74) 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