SCHEMBL25876291

SCHEMBL25876291

C=CC(=O)Oc1ccc(-c2ccc3c(c2)oc2c(C(F)(F)F)c(OC(=O)C=C)ccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
AGER Q15109 2/20 0.33
KIF11 P52732 1/20 0.33
THRB P10828 2/20 0.32
TYMS P04818 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PPARG P37231 1/20 0.31
KMT2A Q03164 1/20 0.31
NCOA2 Q15596 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ADORA3 P0DMS8 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
SCHEMBL25873792 0.91 CYP2C9 (0.40) CYP2C9AGERTHRBTYMSALDH1A1
SCHEMBL25876636 0.85 ADORA3 (0.33) THRBTYMSADORA3
SCHEMBL25876380 0.85 THRB (0.34) THRB
SCHEMBL25876562 0.84 TYMS (0.35) CYP2C9KIF11THRBTYMSADORA3
SCHEMBL25876292 0.84 CYP2C9 (0.37) CYP2C9AGERKIF11ALDH1A1MAPT
SCHEMBL25875111 0.83 CYP2C9 (0.36) CYP2C9AGERTHRBALDH1A1MAPT
SCHEMBL25874690 0.83 TYMS (0.39) CYP2C9THRBTYMSALDH1A1
SCHEMBL25875457 0.83 KMT2A (0.38) THRBTYMSALDH1A1MAPTKMT2A
SCHEMBL25876383 0.82 TYMS (0.33) THRBTYMSADORA3
SCHEMBL25875842 0.81 ABCG2 (0.38) THRBALDH1A1ADORA3

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