SCHEMBL2525938

SCHEMBL2525938

CC(C)CCCC(=O)OCCCCCO

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.44
ACHE P22303 6/20 0.40
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
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL2527695 1.00 DGKA (0.44) DGKAACHENAAAHTR2CPRSS1
SCHEMBL2530042 0.98 DGKA (0.41) DGKAACHENAAAHTR2CPRSS1
SCHEMBL15123713 0.95 DGKA (0.47) DGKAACHEHTR2CPRSS1PRSS2
SCHEMBL757131 0.95 DGKA (0.47) DGKAACHEHTR2CPRSS1PRSS2
SCHEMBL31647845 0.95 DGKA (0.47) DGKAACHEHTR2CPRSS1PRSS2
SCHEMBL15123703 0.95 DGKA (0.47) DGKAACHEHTR2CPRSS1PRSS2
SCHEMBL15123867 0.95 DGKA (0.47) DGKAACHEHTR2CPRSS1PRSS2
SCHEMBL3312964 0.95 DGKA (0.47) DGKAACHEHTR2CPRSS1PRSS2
SCHEMBL3908564 0.95 DGKA (0.47) DGKAACHEHTR2CPRSS1PRSS2
SCHEMBL15124031 0.95 DGKA (0.47) DGKAACHEHTR2CPRSS1PRSS2

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-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