SCHEMBL25874397

SCHEMBL25874397

C=CC(=O)OCCCc1ccc2c(c1)oc1c(OC)c(OC(=O)C=C)ccc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.39
AKR1B10 O60218 3/20 0.37
AKR1B1 P15121 3/20 0.37
THRB P10828 3/20 0.37
ALOX5 P09917 1/20 0.35
MAOA P21397 3/20 0.34
MAOB P27338 2/20 0.34
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
APP P05067 1/20 0.32
THRA P10827 1/20 0.32

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
SCHEMBL25875844 0.93 MET (0.37) METAKR1B10AKR1B1THRBALOX5
SCHEMBL25874108 0.88 THRB (0.38) METAKR1B10AKR1B1THRBHPGD
SCHEMBL25874772 0.88 THRB (0.33) METTHRBTSHRTHRA
SCHEMBL25873866 0.86 THRB (0.36) METAKR1B10AKR1B1THRBALOX5
SCHEMBL25876146 0.85 THRB (0.38) METAKR1B10AKR1B1THRBALOX5
SCHEMBL25874473 0.84 THRB (0.39) METAKR1B10AKR1B1THRBMAOA
SCHEMBL25874550 0.83 THRB (0.34) METAKR1B10AKR1B1THRBTSHR
SCHEMBL25874398 0.83 MAOA (0.36) METMAOAMAOBTSHR
SCHEMBL25873788 0.81 HPGD (0.36) THRBHPGDTSHR
SCHEMBL25873728 0.81 TUBB4A (0.42) MAOAMAOB

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