SCHEMBL25904336

SCHEMBL25904336

C=CC(=O)Oc1ccc2c(c1)oc1cc(-c3ccc(CCCOC(C)=O)cc3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 6/20 0.37
GLA P06280 4/20 0.37
GAA P10253 4/20 0.37
MAPT P10636 3/20 0.35
HSD11B1 P28845 1/20 0.34
MAPK1 P28482 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA12 O43570 1/20 0.34
POLB P06746 1/20 0.34
CA9 Q16790 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34

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
SCHEMBL25874988 0.93 THRB (0.45) THRBMMP12MMP13KDM4EALDH1A1
SCHEMBL25873666 0.92 THRB (0.46) THRBKDM4EALDH1A1GLAGAA
SCHEMBL19159505 0.84 THRB (0.62) THRBALDH1A1KMT2AMEN1LMNA
SCHEMBL25879495 0.84 THRB (0.46) THRBKDM4EALDH1A1GLAGAA
SCHEMBL25874991 0.82 POLB (0.39) MMP12MMP13KDM4EALDH1A1GLA
SCHEMBL25875096 0.81 THRB (0.42) THRBKDM4EALDH1A1GLAGAA
SCHEMBL25875551 0.79 THRB (0.38) THRBMMP12MMP13KDM4EALDH1A1
SCHEMBL18511295 0.78 THRB (0.49) THRBTNKS2APP
SCHEMBL25875107 0.78 THRB (0.40) THRBKDM4EALDH1A1MAPTMAPK1
SCHEMBL25874993 0.78 THRB (0.39) THRBKDM4EALDH1A1MAPTMAPK1

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 1 patent. 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