SCHEMBL25876382

SCHEMBL25876382

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 14/20 0.36
NR1H2 P55055 12/20 0.36
PPARD Q03181 11/20 0.33
PPARA Q07869 9/20 0.33
PPARG P37231 7/20 0.33
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
RXRG P48443 2/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
SYK P43405 1/20 0.32
CYP2C9 P11712 1/20 0.31
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 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
SCHEMBL25874625 0.93 NR1H3 (0.35) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL25875294 0.88 MMP12 (0.34) NR1H3NR1H2MMP12MMP13POLB
SCHEMBL25876639 0.88 NR1H2 (0.32) NR1H3NR1H2MMP12MMP13
SCHEMBL25876565 0.87 NR1H3 (0.37) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL25875552 0.87 KDM4E (0.36) MMP12MMP13POLBAPEX1HTT
SCHEMBL25875845 0.85 MAOA (0.34) MMP12MMP13POLBAPEX1HTT
SCHEMBL25875214 0.85 PPARA (0.33) NR1H3NR1H2PPARACYP2C9POLB
SCHEMBL25876386 0.85 NR1H3 (0.36) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL25876477 0.85 NR1H3 (0.36) NR1H3NR1H2PPARDPPARAPPARG
SCHEMBL25876292 0.84 CYP2C9 (0.37) NR1H3NR1H2PPARDPPARAPPARG

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