SCHEMBL14282671

SCHEMBL14282671

O=C(/C=C/COc1ccc(OCCCC2CO2)cc1)Oc1cc2c3cc(OC(=O)/C=C/COc4ccc(OCCCC5CO5)cc4)c(OC(=O)/C=C/COc4ccc(OCCCC5CO5)cc4)cc3c3cc(OC(=O)/C=C/COc4ccc(OCCCC5CO5)cc4)c(OC(=O)/C=C/COc4ccc(OCCCC5CO5)cc4)cc3c2cc1OC(=O)/C=C/COc1ccc(OCCCC2CO2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 1/20 0.32
▸ PRKAG1 P54619 1/20 0.32
▸ PRKAA2 P54646 1/20 0.32
▸ PRKAA1 Q13131 1/20 0.32
▸ PRKAG3 Q9UGI9 1/20 0.32
▸ PRKAG2 Q9UGJ0 1/20 0.32
▸ PRKAB1 Q9Y478 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ HTR1A P08908 2/20 0.30
▸ ADRA1D P25100 2/20 0.30
▸ ADRA1A P35348 2/20 0.30
▸ ADRA1B P35368 2/20 0.30

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
SCHEMBL14282668 0.82 TP53 (0.41) —
SCHEMBL14282674 0.80 ALDH1A1 (0.51) ALDH1A1PKML3MBTL1
SCHEMBL14282665 0.79 PLK1 (0.44) ALDH1A1LMNAGAAL3MBTL1
SCHEMBL14282667 0.79 TP53 (0.48) LMNA
SCHEMBL14282672 0.77 THRB (0.46) ALDH1A1L3MBTL1
SCHEMBL14282673 0.77 THRB (0.46) ALDH1A1L3MBTL1
SCHEMBL14415086 0.77 MEN1 (0.38) PPARGMGLL
SCHEMBL14282666 0.76 POLB (0.42) ALDH1A1LMNAPPARGPPARD
SCHEMBL14282677 0.72 THRB (0.49) ALDH1A1LMNAPPARGPPARDL3MBTL1
SCHEMBL13703914 0.72 ALDH1A1 (0.37) ALDH1A1PKMPPARGPPARDL3MBTL1

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
US-7314654-B2 Optically anisotropic element comprising discotic compound FUJIFILM CORPORATION (JP) 2008-01-01 — — US disclosed
US-7314654-B2 Optically anisotropic element comprising discotic compound FUJIFILM CORPORATION (JP) 2008-01-01 — — US disclosed
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