SCHEMBL2532997

SCHEMBL2532997

CCCCCCC(=O)OCCC[O]

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.77
DNM1 Q05193 1/20 0.62
NAAA Q02083 1/20 0.59
PRSS1 P07477 1/20 0.58
PRSS2 P07478 1/20 0.58
PRSS3 P35030 1/20 0.58
PAM P19021 2/20 0.58
HTR2C P28335 1/20 0.56
TSHR P16473 1/20 0.55
MAPT P10636 1/20 0.55
LMNA P02545 3/20 0.53
ALDH1A1 P00352 1/20 0.53
KDM4E B2RXH2 1/20 0.51
DUSP3 P51452 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL2527308 0.98 DGKA (0.73) DGKADNM1NAAAPRSS1PRSS2
SCHEMBL2533166 0.94 DGKA (0.74) DGKADNM1NAAAPRSS1PRSS2
SCHEMBL7689665 0.94 DGKA (0.74) DGKADNM1NAAAPRSS1PRSS2
SCHEMBL8092345 0.94 DGKA (0.74) DGKADNM1NAAAPRSS1PRSS2
SCHEMBL7688943 0.94 DGKA (0.74) DGKADNM1NAAAPRSS1PRSS2
SCHEMBL2532102 0.94 DGKA (0.74) DGKADNM1NAAAPRSS1PRSS2
SCHEMBL2532357 0.94 DGKA (0.74) DGKADNM1NAAAPRSS1PRSS2
SCHEMBL2529725 0.94 DGKA (0.74) DGKADNM1NAAAPRSS1PRSS2
SCHEMBL7695250 0.94 DGKA (0.74) DGKADNM1NAAAPRSS1PRSS2
SCHEMBL2523641 0.94 DGKA (0.74) DGKADNM1NAAAPRSS1PRSS2

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