SCHEMBL25853229

SCHEMBL25853229

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 3/20 0.33
ELANE P08246 1/20 0.32
CA2 P00918 1/20 0.31
TBXAS1 P24557 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 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 0.30
MAPK1 P28482 1/20 0.30
PPARG P37231 1/20 0.30
MAPK10 P53779 1/20 0.30
NCOA2 Q15596 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
SCHEMBL25853237 0.89 HTT (0.38) HTTPOLBAPEX1TDP1TSHR
SCHEMBL25853139 0.89 POLB (0.38) HTTPOLBAPEX1TDP1TSHR
SCHEMBL25853303 0.86 POLB (0.36) HTTPOLBAPEX1TDP1TSHR
SCHEMBL25853308 0.85 POLB (0.35) HTTPOLBAPEX1TDP1TSHR
SCHEMBL25854567 0.85 POLB (0.35) HTTPOLBAPEX1TDP1PPARG
SCHEMBL25853663 0.84 POLB (0.37) HTTPOLBAPEX1TDP1TSHR
SCHEMBL25853145 0.82 TSHR (0.37) HTTTSHRTHRBBCL2BCL2L1
SCHEMBL25852968 0.82 HTT (0.42) HTTPOLBAPEX1TDP1TSHR
SCHEMBL25853453 0.80 POLB (0.34) HTTPOLBAPEX1TDP1TSHR
SCHEMBL25853142 0.80 ELANE (0.39) HTTTSHRELANECA2KMT2A

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