SCHEMBL20171776

SCHEMBL20171776

C=C(C)C(=O)OCCOc1cc(OCCOCC(=C)C(=O)CC)ccc1-c1ccc(OC(=O)C(=C)C)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ RARA P10276 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ FFAR1 O14842 7/20 0.33
▸ PPARD Q03181 2/20 0.33
▸ MCL1 Q07820 1/20 0.32
▸ FAAH O00519 2/20 0.32
▸ FFAR4 Q5NUL3 7/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL20275179 0.90 POLB (0.36) POLBAPEX1HTTTDP1RARA
SCHEMBL16559840 0.90 POLB (0.40) POLBAPEX1HTTTDP1RARA
SCHEMBL22023580 0.89 POLB (0.37) POLBAPEX1HTTTDP1RARA
SCHEMBL16559836 0.88 POLB (0.40) POLBAPEX1HTTTDP1RARA
SCHEMBL17538614 0.87 POLB (0.43) POLBAPEX1HTTTDP1RARA
SCHEMBL19158978 0.86 FFAR1 (0.40) POLBAPEX1HTTTDP1FFAR1
SCHEMBL16573113 0.85 POLB (0.45) POLBAPEX1HTTTDP1RARA
SCHEMBL23350596 0.84 POLB (0.36) POLBAPEX1HTTTDP1RARA
SCHEMBL21675468 0.84 POLB (0.36) POLBAPEX1HTTTDP1RARA
SCHEMBL20275159 0.83 POLB (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3521401-A1 COMPOUNDS FOR HOMEOTROPIC ALIGNMENT OF LIQUID CRYSTALINE MEDIA Merck Patent GmbH (DE) 2019-08-07 — — EP disclosed
EP-3323872-A1 COMPOUNDS FOR HOMOTROPIC ALIGNMENT OF LIQUID CRYSTAL MEDIA Merck Patent GmbH (DE) 2018-05-23 — — EP disclosed
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