SCHEMBL28898015

SCHEMBL28898015

CCCC(=O)OCC[SiH2]C(OC)OC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTR2C P28335 1/20 0.37
ADRA2A P08913 1/20 0.34
ADRA1A P35348 1/20 0.34
DNM1 Q05193 1/20 0.34
MAPT P10636 2/20 0.33
BLM P54132 1/20 0.33
LMNA P02545 1/20 0.33
NAAA Q02083 1/20 0.32
ENPP2 Q13822 6/20 0.32
LPAR6 P43657 3/20 0.31
LPAR1 Q92633 3/20 0.31
LPAR4 Q99677 3/20 0.31
LPAR5 Q9H1C0 3/20 0.31
LPAR2 Q9HBW0 3/20 0.31
LPAR3 Q9UBY5 3/20 0.31

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
SCHEMBL29035564 0.91 ADRA2A (0.42) DGKAHTR2CADRA2AADRA1ADNM1
SCHEMBL28453986 0.90 DGKA (0.42) DGKAALDH1A1HTR2CDNM1MAPT
SCHEMBL28289675 0.80 HTR2C (0.41) DGKAHTR2CADRA2AADRA1ADNM1
SCHEMBL29028327 0.77 HTR2C (0.46) DGKAALDH1A1HTR2CADRA2AADRA1A
SCHEMBL29035547 0.76 MAPT (0.42) DGKAHTR2CADRA2AADRA1ADNM1
SCHEMBL28898016 0.76
Ethylene Glycol Dibutanoate SCHEMBL104207 0.73 DGKA (0.65) DGKAALDH1A1HTR2CADRA2AADRA1A
SCHEMBL27707198 0.71 DGKA (0.40) DGKAALDH1A1HTR2CADRA2AADRA1A
SCHEMBL733860 0.71 TSHR (0.47) ALDH1A1
SCHEMBL125157 0.71

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111465652-A Polycarbonate compositions with good flame retardancy 科思创德国股份有限公司 2020-07-28 CN disclosed