SCHEMBL28811104

SCHEMBL28811104

NCCC(=O)OCC(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.38
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LPAR6 P43657 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR4 Q99677 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
ENPP2 Q13822 1/20 0.32
DGKA P23743 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
SCHEMBL14816104 0.85 MAPT (0.43) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL28685349 0.80 KDM4E (0.58) CYP1A2MAPTLMNAKDM4EDUSP3
SCHEMBL29234523 0.80 KDM4E (0.58) CYP1A2MAPTLMNAKDM4EDUSP3
SCHEMBL11578132 0.80 MAPT (0.50) CYP1A2MAPTLMNAKDM4EDUSP3
SCHEMBL94151 0.80
SCHEMBL5136381 0.80 MAPT (0.55) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL9493736 0.79 TSHR (0.44) CYP1A2MAPTLMNAKDM4EDUSP3
SCHEMBL10941606 0.78 MAPT (0.59) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL323871 0.78 MAPT (0.31) MAPT
SCHEMBL30620968 0.78 MAPT (0.31) MAPT

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-113174020-B Preparation of high-performance low-shrinkage hyperbranched polyamine-ester composite resin for dental repair 东华大学 2022-08-16 CN claimed
CN-113121748-B Preparation of low-shrinkage Bis-GMA-free hyperbranched polyamine-ester flow resin for dental repair 东华大学 2022-07-12 CN claimed