SCHEMBL28657331

SCHEMBL28657331

CC(CCO)CC(O)C(O)CCCOC(=O)CCCCC(=O)OCCCC(O)C(O)CC(C)CCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 2/20 0.39
MAPT P10636 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 2/20 0.33
DNM1 Q05193 1/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MGLL Q99685 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
PRKCA P17252 1/20 0.31
PRKCE Q02156 1/20 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
SCHEMBL541443 0.79 DGKA (0.44) DGKAMAPTMEN1KMT2AKDM4E
SCHEMBL2936017 0.79 DGKA (0.47) DGKAMAPTMEN1KMT2AKDM4E
SCHEMBL7627641 0.79 DGKA (0.42) DGKAMAPTMEN1KMT2AKDM4E
SCHEMBL28982388 0.77 DGKA (0.50) DGKAMAPTMEN1KMT2AKDM4E
SCHEMBL21143380 0.77 DGKA (0.50) DGKAMAPTMEN1KMT2AKDM4E
SCHEMBL28859388 0.77 DGKA (0.50) DGKAMAPTMEN1KMT2AKDM4E
SCHEMBL23078940 0.76 MAPT (0.46) DGKAMAPTMEN1KMT2AKDM4E
SCHEMBL21143373 0.75 DGKA (0.42) DGKAMAPTMEN1KMT2AKDM4E
SCHEMBL19817290 0.75 MAPT (0.52) DGKAMAPTMEN1KMT2AKDM4E
SCHEMBL21313283 0.74 DGKA (0.39) DGKAMAPTMEN1KMT2AKDM4E

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-110105525-B NDI-based polyurethane microporous elastomer resistant to damp-heat aging and preparation method thereof 株洲时代新材料科技股份有限公司 2021-11-16 CN disclosed