SCHEMBL22101128

SCHEMBL22101128

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 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FFAR4 Q5NUL3 5/20 0.35
RARB P10826 2/20 0.33
ACACB O00763 4/20 0.33
ACACA Q13085 3/20 0.33
PTGER4 P35408 3/20 0.32
THRB P10828 1/20 0.32
SRD5A2 P31213 1/20 0.31
PTGS2 P35354 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
SCHEMBL21891666 0.94 POLB (0.46) POLBAPEX1HTTTDP1FFAR4
SCHEMBL25812894 0.88 POLB (0.43) POLBAPEX1HTTTDP1FFAR4
SCHEMBL21289112 0.88 POLB (0.43) POLBAPEX1HTTTDP1FFAR4
SCHEMBL25795162 0.87 POLB (0.45) POLBAPEX1HTTTDP1FFAR4
SCHEMBL20807028 0.86 POLB (0.53) POLBAPEX1HTTTDP1RARB
SCHEMBL22814289 0.84 POLB (0.40) POLBAPEX1HTTTDP1FFAR4
SCHEMBL19559099 0.79 POLB (0.39) POLBAPEX1HTTTDP1PTGER4
SCHEMBL22592264 0.79 POLB (0.39) POLBAPEX1HTTTDP1PTGER4
SCHEMBL17072091 0.79 POLB (0.51) POLBAPEX1HTTTDP1RARB
SCHEMBL4447276 0.79 POLB (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3666853-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2020-06-17 EP disclosed