SCHEMBL2525587

SCHEMBL2525587

CCCC(=O)OCCCCCO

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.55
DGKA P23743 1/20 0.55
ACHE P22303 6/20 0.53
HTR2C P28335 1/20 0.53
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FAAH O00519 1/20 0.46
DNM1 Q05193 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MGLL Q99685 1/20 0.44
EPHX1 P07099 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL2526191 1.00 NAAA (0.55) NAAADGKAACHEHTR2CPRSS1
SCHEMBL7267842 1.00 NAAA (0.55) NAAADGKAACHEHTR2CPRSS1
SCHEMBL2527254 0.98 NAAA (0.52) NAAADGKAACHEHTR2CPRSS1
SCHEMBL1362236 0.91 DGKA (0.54) NAAADGKAACHEHTR2CPRSS1
SCHEMBL420094 0.91 NAAA (0.64) NAAADGKAACHEHTR2CPRSS1
Pentane-1,5-Dibutanoate SCHEMBL15705199 0.91 NAAA (0.64) NAAADGKAACHEHTR2CPRSS1
SCHEMBL2529579 0.90 DGKA (0.64) NAAADGKAACHEHTR2CPRSS1
SCHEMBL34462705 0.90 DGKA (0.64) NAAADGKAACHEHTR2CPRSS1
SCHEMBL2531856 0.90 DGKA (0.64) NAAADGKAACHEHTR2CPRSS1
SCHEMBL421653 0.89 NAAA (0.60) NAAADGKAACHEHTR2CPRSS1

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 5 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
EP-4724418-A1 TRICINE AND CITRIC ACID-BASED CATIONIC LIPIDS Sanofi (FR) 2026-04-15 EP disclosed
CN-108473780-A Conductive composition, its manufacturing method and conductive material 东洋油墨SC控股株式会社 2018-08-31 CN disclosed
CN-1119308-C Improved hydroformylation process with separation and recycle of active phodium catalyst ELF ATOCHEM NORTH AMERICAL INC (US) 2003-08-27 CN disclosed