SCHEMBL25853145

SCHEMBL25853145

C=CC(=O)OCCCc1ccc2c(sc3cc(OC(=O)C=C)ccc32)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.37
HPGD P15428 1/20 0.37
THRB P10828 4/20 0.36
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 1/20 0.34
THRA P10827 1/20 0.34
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 1/20 0.31
BCL2 P10415 1/20 0.31
BCL2L1 Q07817 1/20 0.31
MCL1 Q07820 1/20 0.31
BAD Q92934 1/20 0.31
PRNP P04156 1/20 0.31
MAPK1 P28482 1/20 0.31
PPARG P37231 1/20 0.31
HTT P42858 1/20 0.31
MAPK10 P53779 1/20 0.31
NCOA2 Q15596 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL25853235 0.89 TSHR (0.36) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL25853137 0.88 THRB (0.36) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL25853302 0.85 THRB (0.34) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL25854566 0.84 THRB (0.42) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL25867988 0.84 THRB (0.33) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL25853595 0.84 THRB (0.40) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL25853229 0.82 HTT (0.38) TSHRTHRBBCL2BCL2L1MCL1
SCHEMBL25853589 0.80 THRB (0.38) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL25853777 0.80 THRB (0.38) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL25867806 0.80 THRB (0.46) TSHRHPGDTHRBALDH1A1CYP3A4

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-2023134598-A1 POLYMERISABLE 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-2023134596-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