SCHEMBL17547130

SCHEMBL17547130

CCCCOCC(=O)Oc1ccc(-c2cccc(-c3ccc(OCCCC)cc3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 5/20 0.51
▸ RARA P10276 1/20 0.51
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ FFAR4 Q5NUL3 3/20 0.45
▸ FFAR1 O14842 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP19A1 P11511 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ PLA2G4B P0C869 3/20 0.44
▸ PTGES O14684 1/20 0.44
▸ ALOX5 P09917 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ PPARA Q07869 1/20 0.44

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
SCHEMBL18311384 0.87 PLA2G4B (0.45) RARBRARAHDAC1HDAC2FFAR4
SCHEMBL13038193 0.81 LMNA (0.59) RARBCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13038243 0.78 LMNA (0.64) RARBCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17547218 0.78 RARB (0.76) RARBPLA2G4B
SCHEMBL17547129 0.77 LTA4H (0.64) RARBCYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL17547222 0.77 RARB (0.62) RARBRARACYP3A4CYP2D6CYP2C9
SCHEMBL18625350 0.75 PTGER4 (0.56) FFAR4FFAR1PPARG
SCHEMBL9253929 0.75 LMNA (0.58) RARBPLA2G4B
SCHEMBL17319274 0.75 RARB (0.66) RARBCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL18736316 0.73 PLA2G4B (0.61) RARBPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2990459-B1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2017-04-26 — — EP disclosed
US-9594283-B2 Polymerizable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2017-03-14 — — US disclosed
EP-2990459-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS Merck Patent GmbH (DE) 2016-03-02 — — EP disclosed
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