SCHEMBL28631995

SCHEMBL28631995

CCCOC(=O)OC(O)CO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
DUSP3 P51452 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.33
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32

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
SCHEMBL28645049 0.88 ALDH1A1 (0.47) HCAR2ALDH1A1LMNAKDM4EDUSP3
SCHEMBL10411192 0.87 OR51E2 (0.31)
SCHEMBL5146963 0.85 NAAA (0.48) HCAR2LMNAKDM4EDUSP3MEN1
SCHEMBL28924383 0.83 ALDH1A1 (0.52) HCAR2ALDH1A1LMNAKDM4EDUSP3
SCHEMBL8861415 0.78 HSD17B10 (0.38) HCAR2ALDH1A1LMNAESR1CHRM1
SCHEMBL577735 0.76 LMNA (0.42) HCAR2ALDH1A1LMNAESR1CHRM1
SCHEMBL4180222 0.75 HCAR2 (0.35) HCAR2ALDH1A1LMNAKDM4EESR1
SCHEMBL6940585 0.75
SCHEMBL8505387 0.74
SCHEMBL19018678 0.74 HCAR2 (0.38) HCAR2ALDH1A1LMNAESR1CHRM1

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
CN-113461533-A Diesel oil cleaning component based on carbonic acid diether ester and application thereof 中国人民解放军火箭军工程大学 2021-10-01 CN claimed
CN-113461533-A Diesel oil cleaning component based on carbonic acid diether ester and application thereof 中国人民解放军火箭军工程大学 2021-10-01 CN disclosed