SCHEMBL28423583

SCHEMBL28423583

CCCCCCCCCCCCCCCCCC(=O)O[Si](CCCCCCS)(OCC)OC(=O)CCCCCCCCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.41
LMNA P02545 3/20 0.39
DNM1 Q05193 1/20 0.39
PAM P19021 2/20 0.38
MAPT P10636 3/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.36
NAAA Q02083 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CES2 O00748 3/20 0.35
CES1 P23141 3/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
DUSP3 P51452 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL12504523 0.88 DGKA (0.44) DGKALMNADNM1PAMMAPT
SCHEMBL12504282 0.83 DGKA (0.39) DGKALMNAPAMTSHRALDH1A1
SCHEMBL12504229 0.79 DGKA (0.37) DGKALMNADNM1PAMMAPT
SCHEMBL22398870 0.76 DGKA (0.35) DGKALMNADNM1PAMMAPT
SCHEMBL19858482 0.76 FAAH (0.39) TSHRALDH1A1CES2CES1
SCHEMBL12504369 0.76 DGKA (0.46) DGKALMNADNM1PAMMAPT
SCHEMBL22069809 0.76 KMT2A (0.52) DGKAMAPTTSHRALDH1A1CES2
SCHEMBL31506258 0.76 DGKA (0.61) DGKALMNADNM1PAMMAPT
SCHEMBL31506285 0.76 DGKA (0.61) DGKALMNADNM1PAMMAPT
SCHEMBL31506311 0.76 DGKA (0.61) DGKALMNADNM1PAMMAPT

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-111233916-A Long carbon chain sulfur-containing silane coupling agent, and preparation method and application thereof 南京曙光精细化工有限公司 2020-06-05 CN disclosed