SCHEMBL28323929

SCHEMBL28323929

CC(N)(CCC(=O)O)N=NC(C)(N)CCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
THRB P10828 1/20 0.48
NAALAD2 Q9Y3Q0 1/20 0.47
ESR1 P03372 2/20 0.38
CYP3A4 P08684 1/20 0.38
ESR2 Q92731 1/20 0.38
AKR1B1 P15121 1/20 0.37
LMNA P02545 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
FFAR3 O14843 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CHEK1 O14757 1/20 0.36

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
SCHEMBL13178448 1.00 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL2825360 0.77
SCHEMBL1933286 0.77
SCHEMBL24157789 0.76 MEN1 (0.32) ALDH1A1MEN1KMT2ACYP1A2THRB
Hydrochloric Acid SCHEMBL27643340 0.76 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL7183027 0.75
Hydrochloric Acid SCHEMBL10901865 0.75 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL11890779 0.75 NAALAD2 (0.45) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL12587323 0.75 NAALAD2 (0.45) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL200537 0.73 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACYP1A2THRB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110392702-A Water-absorbing resins and absorbent commodity 住友精化株式会社 2019-10-29 CN disclosed
CN-110325559-A water-absorbent resin and absorbent article 住友精化株式会社 2019-10-11 CN disclosed
CN-110325558-A Water-absorbent resin, soil water-retaining material, and agricultural or horticultural material 住友精化株式会社 2019-10-11 CN disclosed
CN-110325597-A Water absorbency resin composition, absorber and absorbent commodity 住友精化株式会社 2019-10-11 CN disclosed
CN-110325557-A Water-absorbing resins and sandbag 住友精化株式会社 2019-10-11 CN disclosed