SCHEMBL16573113

SCHEMBL16573113

C=C(C)C(=O)OCCCOc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)c(OCCCOC(=O)C(=C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

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
▸ MCL1 Q07820 1/20 0.38
▸ FFAR4 Q5NUL3 9/20 0.37
▸ FFAR1 O14842 4/20 0.36
▸ FAAH O00519 2/20 0.36
▸ PPARG P37231 2/20 0.36
▸ PPARD Q03181 2/20 0.36
▸ PPARA Q07869 1/20 0.35
▸ RARA P10276 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ TSHR P16473 2/20 0.34

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 0.98 POLB (0.43) POLBAPEX1HTTTDP1MCL1
SCHEMBL19158316 0.96 POLB (0.42) POLBAPEX1HTTTDP1MCL1
SCHEMBL16559840 0.95 POLB (0.40) POLBAPEX1HTTTDP1MCL1
SCHEMBL16559836 0.93 POLB (0.40) POLBAPEX1HTTTDP1MCL1
SCHEMBL19158978 0.91 FFAR1 (0.40) POLBAPEX1HTTTDP1MCL1
SCHEMBL22023580 0.90 POLB (0.37) POLBAPEX1HTTTDP1MCL1
SCHEMBL20275179 0.89 POLB (0.36) POLBAPEX1HTTTDP1MCL1
SCHEMBL26144146 0.89 POLB (0.42) POLBAPEX1HTTTDP1MCL1
SCHEMBL23350596 0.88 POLB (0.36) POLBAPEX1HTTTDP1MCL1
SCHEMBL21675468 0.88 POLB (0.36) POLBAPEX1HTTTDP1MCL1

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