SCHEMBL25875109

SCHEMBL25875109

C=C(C)C(=O)OCCCc1ccc(-c2ccc3c(oc4cc(OC(=O)C(=C)C)ccc43)c2OC)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
KMT2A Q03164 5/20 0.36
LMNA P02545 4/20 0.36
MEN1 O00255 4/20 0.36
MAPT P10636 4/20 0.36
RAB9A P51151 3/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 2/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 6/20 0.36
KDM4E B2RXH2 6/20 0.36
NOD1 Q9Y239 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
POLB P06746 2/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.32
TP53 P04637 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
SCHEMBL25875098 0.90 POLB (0.35) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL25875219 0.90 ESR1 (0.32) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL25874996 0.89 POLB (0.34) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL25875104 0.87 ALDH1A1 (0.40) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL25876147 0.86 MAOA (0.35) ALDH1A1KMT2ALMNAMEN1MAPK1
SCHEMBL25875214 0.86 PPARA (0.33) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL25873791 0.85 POLB (0.37) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL25875107 0.85 THRB (0.40) ALDH1A1KMT2ALMNAMEN1MAPT
SCHEMBL25875845 0.85 MAOA (0.34) HTTTDP1POLBAPEX1CYP3A4
SCHEMBL25874991 0.84 POLB (0.39) ALDH1A1KMT2ALMNAMEN1MAPT

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
WO-2023134594-A1 NEGATIVE DIELECTRIC ANISOTROPIC LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIER, AND LIQUID CRYSTAL DISPLAY COMPONENT 烟台显华科技集团股份有限公司 2023-07-20 WO disclosed