SCHEMBL25812894

SCHEMBL25812894

C=C(C)C(=O)OCCOc1cc(OCCOC(=O)C(=C)C)cc(-c2ccc(-c3ccc(OC(O)C(=C)C)cc3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGS2 P35354 1/20 0.36
THRB P10828 1/20 0.35
ACACB O00763 3/20 0.32
ACACA Q13085 3/20 0.32
FFAR4 Q5NUL3 3/20 0.32
FFAR1 O14842 1/20 0.32
TSHR P16473 3/20 0.32
RARB P10826 2/20 0.32
CSF3R Q99062 1/20 0.31
PTGER4 P35408 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 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
SCHEMBL21289112 1.00 POLB (0.43) POLBAPEX1HTTTDP1PTGS2
SCHEMBL22814289 0.96 POLB (0.40) POLBAPEX1HTTTDP1PTGS2
SCHEMBL21891666 0.93 POLB (0.46) POLBAPEX1HTTTDP1THRB
SCHEMBL27423567 0.90 POLB (0.38) POLBAPEX1HTTTDP1PTGS2
SCHEMBL22101128 0.88 POLB (0.42) POLBAPEX1HTTTDP1PTGS2
SCHEMBL21254293 0.86 POLB (0.40) POLBAPEX1HTTTDP1PTGS2
SCHEMBL22360394 0.86 POLB (0.40) POLBAPEX1HTTTDP1PTGS2
SCHEMBL22842242 0.86 POLB (0.42) POLBAPEX1HTTTDP1PTGS2
SCHEMBL22592264 0.86 POLB (0.39) POLBAPEX1HTTTDP1THRB
SCHEMBL19559099 0.86 POLB (0.39) POLBAPEX1HTTTDP1THRB

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-4209567-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2023-07-12 EP disclosed