SCHEMBL25795162

SCHEMBL25795162

C=C(C)C(=O)OCCOc1ccc(-c2cc(OC(=O)C(=C)C)cc(-c3ccc(OCCOC(=O)C(C)C)cc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ELANE P08246 1/20 0.36
RARB P10826 2/20 0.36
ACACB O00763 4/20 0.35
ACACA Q13085 3/20 0.35
THRB P10828 1/20 0.35
PTGER4 P35408 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
SRD5A2 P31213 1/20 0.33
TSHR P16473 1/20 0.33
PTGS2 P35354 1/20 0.33
FFAR4 Q5NUL3 2/20 0.33
LTB4R Q15722 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
SCHEMBL17072091 0.93 POLB (0.51) POLBAPEX1HTTTDP1ELANE
SCHEMBL16559846 0.90 POLB (0.51) POLBAPEX1HTTTDP1ELANE
SCHEMBL20807028 0.90 POLB (0.53) POLBAPEX1HTTTDP1RARB
SCHEMBL25795158 0.88 POLB (0.47) POLBAPEX1HTTTDP1ELANE
SCHEMBL22101128 0.87 POLB (0.42) POLBAPEX1HTTTDP1RARB
SCHEMBL16559827 0.87 POLB (0.47) POLBAPEX1HTTTDP1ELANE
SCHEMBL15062131 0.87 POLB (0.56) POLBAPEX1HTTTDP1ELANE
SCHEMBL16559844 0.87 POLB (0.47) POLBAPEX1HTTTDP1ELANE
SCHEMBL16351939 0.86 TDP1 (0.51) POLBAPEX1HTTTDP1ELANE
SCHEMBL24343380 0.85 POLB (0.49) POLBAPEX1HTTTDP1RARB

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
EP-4209566-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2023-07-12 EP disclosed
EP-4209568-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2023-07-12 EP disclosed