SCHEMBL25875294

SCHEMBL25875294

C=C(C)C(=O)OCCCc1ccc(-c2ccc3c(c2)oc2c(F)c(OC(=O)C(=C)C)ccc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RARB P10826 2/20 0.31
RARA P10276 1/20 0.31
RARG P13631 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
TSHR P16473 2/20 0.30

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
SCHEMBL25873867 0.92 POLB (0.34) POLBAPEX1HTTTDP1TSHR
SCHEMBL25875552 0.90 KDM4E (0.36) MMP12MMP13POLBAPEX1HTT
SCHEMBL25876382 0.88 NR1H3 (0.36) MMP12MMP13POLBAPEX1HTT
SCHEMBL25875845 0.88 MAOA (0.34) MMP12MMP13POLBAPEX1HTT
SCHEMBL25876639 0.87 NR1H2 (0.32) MMP12MMP13NR1H2NR1H3
SCHEMBL25875299 0.87 POLB (0.33) POLBAPEX1HTTTDP1RARB
SCHEMBL25874996 0.84 POLB (0.34) POLBAPEX1HTTTDP1RARB
SCHEMBL25875375 0.84 MPL (0.32) POLBAPEX1HTTTDP1NR1H2
SCHEMBL25874991 0.83 POLB (0.39) MMP12MMP13POLBAPEX1HTT
SCHEMBL25875291 0.83 THRB (0.35) MMP12MMP13TSHR

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-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
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