SCHEMBL25875219

SCHEMBL25875219

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.32
POLB P06746 2/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTPRC P08575 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
PTPN9 P43378 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN11 Q06124 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
PPARA Q07869 1/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 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
SCHEMBL25875109 0.90 ALDH1A1 (0.36) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL25875214 0.88 PPARA (0.33) ESR1POLBAPEX1HTTTDP1
SCHEMBL25875216 0.88 GAPDH (0.35) ESR1HTTPTPN22ALDH1A1LMNA
SCHEMBL25876856 0.87 NR1H2 (0.33) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL25874996 0.87 POLB (0.34) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL25875098 0.87 POLB (0.35) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL25873865 0.86 POLB (0.35) POLBAPEX1HTTTDP1PPARA
SCHEMBL25876639 0.86 NR1H2 (0.32)
SCHEMBL25875840 0.85 KDM4E (0.32) ESR1POLBHTTPPARAALDH1A1
SCHEMBL25876290 0.85 FFAR4 (0.33) ALDH1A1FFAR4L3MBTL1

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