SCHEMBL2530607

SCHEMBL2530607

CCCCCCC(=O)OCC[O]

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.80
DNM1 Q05193 1/20 0.65
PAM P19021 2/20 0.60
TSHR P16473 1/20 0.56
MAPT P10636 1/20 0.56
PRSS1 P07477 1/20 0.56
PRSS2 P07478 1/20 0.56
PRSS3 P35030 1/20 0.56
NAAA Q02083 1/20 0.55
LMNA P02545 4/20 0.55
ALDH1A1 P00352 1/20 0.55
KDM4E B2RXH2 1/20 0.53
DUSP3 P51452 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HTR2C P28335 1/20 0.53

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
SCHEMBL9245169 1.00 DGKA (0.80) DGKADNM1PAMTSHRMAPT
SCHEMBL4623164 1.00 DGKA (0.80) DGKADNM1PAMTSHRMAPT
SCHEMBL2528230 0.98 DGKA (0.76) DGKADNM1PAMTSHRMAPT
SCHEMBL2532239 0.91 DGKA (0.65) DGKADNM1PAMTSHRMAPT
SCHEMBL2532997 0.90 DGKA (0.77) DGKADNM1PAMTSHRMAPT
SCHEMBL3323202 0.89 DGKA (0.65) DGKAMAPTLMNAALDH1A1DUSP3
SCHEMBL8154593 0.89 DGKA (1.00) DGKADNM1PAMTSHRMAPT
Glycol Distearate SCHEMBL29407 0.89 DGKA (1.00) DGKADNM1PAMTSHRMAPT
SCHEMBL1197282 0.89 DGKA (1.00) DGKADNM1PAMTSHRMAPT
SCHEMBL813087 0.89 DGKA (1.00) DGKADNM1PAMTSHRMAPT

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