SCHEMBL25855748

SCHEMBL25855748

C=C(C)C(=O)OCCCc1ccc(-c2ccc3c(sc4c(OC)c(OC(=O)C(=C)C)ccc43)c2OC)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 2/20 0.32
MET P08581 3/20 0.31
AKR1B10 O60218 1/20 0.31
AKR1B1 P15121 1/20 0.31
LPAR1 Q92633 2/20 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
SCHEMBL25855616 0.93 TNKS2 (0.31) TNKS2POLBAPEX1HTTTDP1
SCHEMBL25855308 0.93 TNKS2 (0.31) TNKS2POLBAPEX1HTTTDP1
SCHEMBL25855605 0.93 MPL (0.32) TNKS2POLBAPEX1HTTTDP1
SCHEMBL25854938 0.93 MET (0.31) TNKS2POLBAPEX1HTTTDP1
SCHEMBL25856320 0.92 FFAR4 (0.33)
SCHEMBL25855860 0.92 FFAR4 (0.33)
SCHEMBL25856098 0.90 NR1H2 (0.32)
SCHEMBL25855755 0.90 NR1H2 (0.31)
SCHEMBL25856377 0.87 FFAR4 (0.31) POLBAPEX1HTTTDP1
SCHEMBL25855453 0.87 PDE4A (0.34) TNKS2POLBAPEX1HTTTDP1

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-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