SCHEMBL22561021

SCHEMBL22561021

C=CC(=O)OCCCc1ccc(-c2ccc(OCCOOC(=O)C(=C)COC)cc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.38
▸ FFAR4 Q5NUL3 7/20 0.34
▸ FFAR1 O14842 6/20 0.34
▸ S1PR1 P21453 2/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ PTGES O14684 1/20 0.33
▸ RARB P10826 2/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ RARA P10276 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ MET P08581 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
SCHEMBL22459370 0.93 THRB (0.40) THRBFFAR4FFAR1S1PR1S1PR3
SCHEMBL22561054 0.84 RARA (0.36) THRBFFAR4FFAR1S1PR1S1PR3
SCHEMBL22459560 0.83 THRB (0.44) THRBFFAR4FFAR1PTGESRARB
SCHEMBL22459260 0.82 RARB (0.39) THRBS1PR1S1PR3RARBRARA
SCHEMBL22459777 0.81 RARB (0.43) FFAR4FFAR1S1PR1S1PR3PTGES
SCHEMBL22459349 0.81 THRB (0.47) THRBFFAR1PPARGMET
SCHEMBL22459335 0.80 THRB (0.38) THRBFFAR4FFAR1RARBPPARG
SCHEMBL22561041 0.80 S1PR1 (0.44) FFAR4FFAR1S1PR1S1PR3PTGES
SCHEMBL22459694 0.79 MET (0.38) THRBS1PR1PPARGMET
SCHEMBL22459251 0.79 THRB (0.38) THRBFFAR4FFAR1PPARGMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3725764-A1 POLYMERIZABLE COMPOUND HAVING METHOXYMETHYL ACRYLIC GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2020-10-21 — — EP disclosed
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