SCHEMBL25875214

SCHEMBL25875214

C=C(C)C(=O)OCCCc1ccc(-c2ccc3c(oc4cc(OC(=O)C(=C)C)ccc43)c2C(F)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.33
CYP2C9 P11712 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 5/20 0.32
LMNA P02545 3/20 0.32
MEN1 O00255 3/20 0.32
MAPK1 P28482 3/20 0.32
KMT2A Q03164 3/20 0.32
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 2/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
NOD1 Q9Y239 1/20 0.31
HPGD P15428 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
SCHEMBL25874996 0.89 POLB (0.34) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL25875098 0.89 POLB (0.35) CYP2C9POLBAPEX1HTTTDP1
SCHEMBL25875219 0.88 ESR1 (0.32) PPARAPOLBAPEX1HTTTDP1
SCHEMBL25875212 0.87 ALDH1A1 (0.38) CYP2C9HTTALDH1A1LMNAMEN1
SCHEMBL25876565 0.87 NR1H3 (0.37) PPARAPOLBAPEX1HTTTDP1
SCHEMBL25873796 0.87 POLB (0.36) PPARACYP2C9POLBAPEX1HTT
SCHEMBL25875109 0.86 ALDH1A1 (0.36) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL25876382 0.85 NR1H3 (0.36) PPARACYP2C9POLBAPEX1HTT
SCHEMBL25875449 0.84 NR1H2 (0.34) PPARAPOLBAPEX1HTTTDP1
SCHEMBL25875784 0.84 NR1H2 (0.34) PPARAPOLBAPEX1HTTTDP1

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 2 patents. 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
WO-2023134595-A1 POLYMERIZABLE COMPOUND, COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE 烟台显华科技集团股份有限公司 2023-07-20 WO disclosed