SCHEMBL21795201

SCHEMBL21795201

O=C(CCCCC(=O)NC(CO)(CO)CO)NC(CO)(CO)CO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.61
ALDH1A1 P00352 2/20 0.45
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.34
TSHR P16473 1/20 0.34
HSP90AA1 P07900 1/20 0.34
GAA P10253 2/20 0.33
FAAH O00519 2/20 0.33
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
SLC5A1 P13866 2/20 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
SCHEMBL8684475 0.89 HRH3 (0.50) HRH3ALDH1A1
SCHEMBL10445885 0.89 HRH3 (0.77) HRH3ALDH1A1HSP90AA1FAAHMEN1
SCHEMBL10634876 0.89 HRH3 (0.53) HRH3ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL7325784 0.89 HRH3 (0.53) HRH3ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL8772710 0.87 HRH3 (0.56) HRH3ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL3760754 0.87 HRH3 (0.81) HRH3ALDH1A1TSHRHSP90AA1FAAH
SCHEMBL2907984 0.87 HRH3 (0.81) HRH3ALDH1A1TSHRHSP90AA1FAAH
SCHEMBL16214678 0.87 HRH3 (0.81) HRH3ALDH1A1TSHRHSP90AA1FAAH
SCHEMBL10431138 0.87 HRH3 (0.56) HRH3ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL18607075 0.87 HRH3 (0.56) HRH3ALDH1A1HDAC3HDAC1HDAC2

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
WO-2023085390-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2023-05-19 WO disclosed
WO-2020145175-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2020-07-16 WO disclosed
WO-2020138259-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, LIQUID CRYSTAL DISPLAY ELEMENT, AND NOVEL MONOMER 日産化学株式会社 2020-07-02 WO disclosed
WO-2020045549-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2020-03-05 WO disclosed
WO-2020045548-A1 METHOD FOR PRODUCING LIQUID CRYSTAL ALIGNMENT FILM, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2020-03-05 WO disclosed