SCHEMBL25876388

SCHEMBL25876388

C=CC(=O)Oc1ccc(-c2ccc3c(oc4c(C(F)(F)F)c(OC(=O)C=C)ccc43)c2C)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
THRB P10828 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
TYMS P04818 1/20 0.33
HSP90AA1 P07900 1/20 0.32
CYP2C9 P11712 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL25875781 0.92 KMT2A (0.38) KMT2AMEN1GAAHTTTHRB
SCHEMBL25876562 0.91 TYMS (0.35) THRBADORA3TYMSCYP2C9
SCHEMBL25876383 0.88 TYMS (0.33) THRBADORA3TYMS
SCHEMBL25875664 0.88 KMT2A (0.41) KMT2AMEN1GAAHTTTHRB
SCHEMBL25876480 0.88 ADORA3 (0.34) KMT2AMEN1GAAHTTTHRB
SCHEMBL25874321 0.87 HPGD (0.39) KMT2AGAATHRBTYMSCYP2C9
SCHEMBL25875300 0.86 KMT2A (0.35) KMT2AMEN1GAAHTTTHRB
SCHEMBL25876567 0.86 ABL1 (0.33) THRBADORA3TYMS
SCHEMBL25876706 0.86 ADORA3 (0.36) KMT2AMEN1GAAHTTTHRB
SCHEMBL25874690 0.84 TYMS (0.39) THRBTYMSCYP2C9HPGDALDH1A1

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