SCHEMBL16559836

SCHEMBL16559836

C=C(C)C(=O)COCCOc1cc(OCCCOC(=O)C(=C)C)ccc1-c1ccc(OC(=O)C(=C)C)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ RARA P10276 1/20 0.35
▸ RARB P10826 1/20 0.35
▸ FFAR1 O14842 8/20 0.34
▸ PPARD Q03181 3/20 0.34
▸ PPARG P37231 2/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ FFAR4 Q5NUL3 7/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL17538614 0.93 POLB (0.43) POLBAPEX1HTTTDP1RARA
SCHEMBL16573113 0.93 POLB (0.45) POLBAPEX1HTTTDP1RARA
SCHEMBL20275179 0.91 POLB (0.36) POLBAPEX1HTTTDP1RARA
SCHEMBL16559840 0.90 POLB (0.40) POLBAPEX1HTTTDP1RARA
SCHEMBL19158316 0.90 POLB (0.42) POLBAPEX1HTTTDP1FFAR1
SCHEMBL20171776 0.88 POLB (0.34) POLBAPEX1HTTTDP1RARA
SCHEMBL19158978 0.87 FFAR1 (0.40) POLBAPEX1HTTTDP1FFAR1
SCHEMBL22023580 0.86 POLB (0.37) POLBAPEX1HTTTDP1RARA
SCHEMBL23350596 0.84 POLB (0.36) POLBAPEX1HTTTDP1RARA
SCHEMBL21675468 0.84 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487702-B2 Liquid crystal medium MERCK PATENT GMBH (DE) 2016-11-08 — — US disclosed
US-9487702-B2 Liquid crystal medium MERCK PATENT GMBH (DE) 2016-11-08 — — US disclosed
US-20150070609-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2015-03-12 — — US disclosed
US-20150070609-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2015-03-12 — — US disclosed
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