SCHEMBL23919400

SCHEMBL23919400

C=C(C)C(=O)OCCOc1cc(OCCOC(O)C(=C)C)cc(-c2ccc(OC(=O)CC)c(F)c2)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ RARA P10276 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ FAAH O00519 2/20 0.31
▸ ACLY P53396 1/20 0.31
▸ FFAR4 Q5NUL3 2/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ AAK1 Q2M2I8 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
SCHEMBL21087449 0.94 POLB (0.35) POLBAPEX1HTTTDP1RARA
SCHEMBL22353022 0.92 POLB (0.37) POLBAPEX1HTTTDP1RARA
SCHEMBL21693411 0.89 POLB (0.32) POLBAPEX1HTTTDP1CYP3A4
SCHEMBL25795370 0.86 POLB (0.37) POLBAPEX1HTTTDP1RARA
SCHEMBL16559830 0.85 POLB (0.41) POLBAPEX1HTTTDP1RARA
SCHEMBL18558996 0.85 THRB (0.33) POLBAPEX1HTTTDP1THRB
SCHEMBL18773630 0.85 THRB (0.33) POLBAPEX1HTTTDP1THRB
SCHEMBL16559845 0.84 POLB (0.40) POLBAPEX1HTTTDP1RARA
SCHEMBL21254294 0.84 POLB (0.35) POLBAPEX1HTTTDP1RARA
SCHEMBL16559831 0.83 POLB (0.39) POLBAPEX1HTTTDP1RARA

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-3892706-A2 LIQUID-CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2021-10-13 — — EP disclosed
Send feedback