SCHEMBL3772983

SCHEMBL3772983

CCC(C)(C)OOC(=O)C(C)(C)C.CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.43
LMNA P02545 3/20 0.41
ELANE P08246 3/20 0.40
PAM P19021 2/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.38
NAAA Q02083 2/20 0.37
DNM1 Q05193 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CES2 O00748 3/20 0.37
CES1 P23141 3/20 0.37
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36

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
SCHEMBL2140063 0.89 DGKA (0.50) DGKALMNAPAMMAPTMAPK1
SCHEMBL2777800 0.89 DGKA (0.50) DGKALMNAPAMMAPTMAPK1
SCHEMBL28538178 0.89 DGKA (0.50) DGKALMNAPAMMAPTMAPK1
SCHEMBL2137991 0.89 DGKA (0.50) DGKALMNAPAMMAPTMAPK1
SCHEMBL10803423 0.87 DGKA (0.46) DGKALMNAELANEPAMMAPT
SCHEMBL5009818 0.87 DGKA (0.47) DGKALMNAPAMMAPTMAPK1
SCHEMBL30301790 0.87 DGKA (0.52) DGKALMNAPAMMAPTMAPK1
SCHEMBL22775546 0.87 DGKA (0.52) DGKALMNAPAMMAPTMAPK1
SCHEMBL248153 0.85 DGKA (0.48) DGKALMNAELANEPAMMAPT
SCHEMBL7699787 0.82 DGKA (0.47) DGKALMNAPAMMAPTMAPK1

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-8349452-B2 Microcapsules, their preparation and use BASF SE (DE) 2013-01-08 US disclosed
US-20100327216-A1 MICROCAPSULES, THEIR PREPARATION AND USE BASF SE (DE) 2010-12-30 US disclosed