SCHEMBL16559834

SCHEMBL16559834

C=C(C)C(=O)OCCCOc1cc(OCCCOC(=O)C(=C)C)cc(-c2ccc(OC(=O)C(=C)C)c(F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ TSHR P16473 2/20 0.37
▸ RARA P10276 1/20 0.37
▸ RARB P10826 1/20 0.37
▸ FAAH O00519 2/20 0.36
▸ THRB P10828 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ PPARG P37231 2/20 0.34
▸ PPARD Q03181 2/20 0.34
▸ FFAR1 O14842 2/20 0.34
▸ FFAR4 Q5NUL3 3/20 0.34
▸ AAK1 Q2M2I8 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CSF3R Q99062 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ MAPT P10636 1/20 0.32

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
SCHEMBL16559830 0.94 POLB (0.41) POLBAPEX1HTTTDP1TSHR
SCHEMBL16559845 0.93 POLB (0.40) POLBAPEX1HTTTDP1RARA
SCHEMBL16559831 0.92 POLB (0.39) POLBAPEX1HTTTDP1TSHR
SCHEMBL18511710 0.90 NR4A2 (0.39) POLBAPEX1HTTTDP1RARA
SCHEMBL15119811 0.90 POLB (0.42) POLBAPEX1HTTTDP1TSHR
SCHEMBL19159161 0.89 NR4A2 (0.38) POLBAPEX1HTTTDP1RARA
SCHEMBL16559821 0.88 POLB (0.41) POLBAPEX1HTTTDP1TSHR
SCHEMBL19159115 0.87 POLB (0.36) POLBAPEX1HTTTDP1RARA
SCHEMBL21096333 0.87 POLB (0.40) POLBAPEX1HTTTDP1TSHR
SCHEMBL22353022 0.87 POLB (0.37) POLBAPEX1HTTTDP1TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2848676-B1 Liquid crystal medium MERCK PATENT GMBH (DE) 2017-07-26 — — EP disclosed
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
EP-2848676-A2 Liquid crystal medium Merck Patent GmbH (DE) 2015-03-18 — — EP 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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