SCHEMBL28525809

SCHEMBL28525809

CC(C)=NNC(=O)CCCCCCCCC(=O)NN=C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.42
HSP90AA1 P07900 1/20 0.41
FAAH O00519 1/20 0.40

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
SCHEMBL18222979 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL18275012 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL18222991 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL18275026 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL9909115 0.98 KDM4E (0.49) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL1562173 0.92 MAPT (0.56) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL1563321 0.92 MAPT (0.56) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL20323409 0.89 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL9909109 0.87 CTH (0.42) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL9909116 0.87 CTSD (0.45) ALDH1A1KDM4EKMT2AMEN1MAPT

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-107614605-B Polyacetal resin composition and polyacetal resin molded article 三菱工程塑料株式会社 2021-02-19 CN disclosed