SCHEMBL2523649

SCHEMBL2523649

CCCCC(C)C(=O)OCCCCCC[O]

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
EPHX1 P07099 1/20 0.42
ACHE P22303 6/20 0.41
TSHR P16473 2/20 0.41
CA1 P00915 3/20 0.40
ALDH1A1 P00352 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA2 P00918 1/20 0.38

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
SCHEMBL2525615 1.00 NAAA (0.44) NAAAEPHX1ACHETSHRCA1
SCHEMBL2530893 0.98 CA1 (0.41) NAAAEPHX1ACHETSHRCA1
SCHEMBL2529449 0.93 CA1 (0.42) NAAAEPHX1ACHETSHRCA1
SCHEMBL2529097 0.91 NAAA (0.41) NAAAEPHX1ACHETSHRALDH1A1
SCHEMBL2525641 0.91 NAAA (0.41) NAAAEPHX1ACHETSHRALDH1A1
SCHEMBL7217720 0.91 NAAA (0.53) NAAAEPHX1ACHETSHRCA1
SCHEMBL7223421 0.91 NAAA (0.53) NAAAEPHX1ACHETSHRCA1
SCHEMBL7217114 0.91 NAAA (0.53) NAAAEPHX1ACHETSHRCA1
SCHEMBL7219183 0.91 NAAA (0.53) NAAAEPHX1ACHETSHRCA1
SCHEMBL7223411 0.91 NAAA (0.53) NAAAEPHX1ACHETSHRCA1

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