SCHEMBL19789525

SCHEMBL19789525

C=C(C=O)COCCOc1ccc(-c2ccc(-c3ccc(Cl)cc3F)cc2F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 6/20 0.35
▸ FFAR1 O14842 5/20 0.35
▸ RARA P10276 1/20 0.35
▸ RARB P10826 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PRKAB2 O43741 1/20 0.35
▸ PRKAG1 P54619 1/20 0.35
▸ PRKAA2 P54646 1/20 0.35
▸ PRKAA1 Q13131 1/20 0.35
▸ PRKAG3 Q9UGI9 1/20 0.35
▸ PRKAG2 Q9UGJ0 1/20 0.35
▸ PRKAB1 Q9Y478 1/20 0.35
▸ SLC9A3 P48764 2/20 0.34
▸ FASN P49327 1/20 0.33
▸ CTSA P10619 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ PPARG P37231 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
SCHEMBL14907495 0.79 THRB (0.50) FFAR4FFAR1RARARARBALDH1A1
SCHEMBL14062810 0.67 TDP1 (0.44) FFAR4FFAR1ALDH1A1PPARGKMT2A
SCHEMBL14062855 0.67 FFAR4 (0.38) FFAR4FFAR1ALDH1A1FASNCTSA
SCHEMBL16982149 0.66 POLB (0.48) FFAR4FFAR1RARARARBKMT2A
SCHEMBL6224544 0.66 APP (0.45) FFAR4FASNGRM2
SCHEMBL30629210 0.66 GSTP1 (0.57) FFAR4FFAR1GRM2
SCHEMBL29097678 0.65 GRM2 (0.43) FASNGRM2ALOX5APFEN1
SCHEMBL22459796 0.65 RARB (0.43) FFAR4FFAR1RARARARBPRKAB2
SCHEMBL22459266 0.65 RARB (0.43) FFAR4FFAR1RARARARBPRKAB2
SCHEMBL23638836 0.65 GRM2 (0.49) FASNGRM2

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-2771735-B1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-01-24 — — EP disclosed
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