SCHEMBL25875216

SCHEMBL25875216

C=C(C)C(=O)Oc1ccc(-c2ccc3c(oc4cc(OC(=O)C(=C)C)ccc43)c2OC(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 1/20 0.35
ELANE P08246 1/20 0.34
ALDH1A1 P00352 7/20 0.34
KDM4E B2RXH2 6/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 4/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 4/20 0.33
KMT2A Q03164 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CA9 Q16790 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL25875219 0.88 ESR1 (0.32) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL25876850 0.88 ADORA3 (0.38) ELANEALDH1A1KDM4EGAAHPGD
SCHEMBL25873859 0.87 ALDH1A1 (0.37) ELANEALDH1A1KDM4EGLAGAA
SCHEMBL25875104 0.87 ALDH1A1 (0.40) GAPDHELANEALDH1A1KDM4EGLA
SCHEMBL25876637 0.86 ADORA3 (0.35) ELANEALDH1A1KDM4EGLAGAA
SCHEMBL25875215 0.85 KMT2A (0.34) GAPDHALDH1A1KDM4EHPGDLMNA
SCHEMBL25875212 0.85 ALDH1A1 (0.38) GAPDHELANEALDH1A1KDM4EGLA
SCHEMBL25875786 0.85 KMT2A (0.37) ELANEALDH1A1KDM4EGLAGAA
SCHEMBL25875452 0.85 ADORA3 (0.34) ELANEKMT2AADORA3ATM
SCHEMBL25876288 0.85 ABL1 (0.38) ELANEALDH1A1KDM4EGAALMNA

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