SCHEMBL12769596

SCHEMBL12769596

C=CC(=O)OCOc1ccc(CC(=O)Oc2ccc(C(c3ccc(OC(=O)Cc4ccc(OCOC(=O)C=C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
THRB P10828 3/20 0.39
MGLL Q99685 1/20 0.35
CYP19A1 P11511 1/20 0.33
MAOB P27338 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
ASAH1 Q13510 1/20 0.33
PTPRC P08575 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPRB P23467 1/20 0.32
PTPN6 P29350 1/20 0.32
CDC25A P30304 1/20 0.32
PTPN11 Q06124 1/20 0.32
HPGD P15428 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 2/20 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
SCHEMBL11986142 0.89 THRB (0.42) KMT2ATHRBMAOBMEN1HPGD
SCHEMBL14117093 0.84 THRB (0.41) KMT2ATHRBMEN1L3MBTL1LMNA
SCHEMBL11986138 0.84 PRSS1 (0.40) KMT2ATHRBMAOBMEN1L3MBTL1
SCHEMBL12769579 0.83 PPARD (0.34) KMT2ATHRBSMN1; SMN2L3MBTL1
SCHEMBL11986146 0.82 KMT2A (0.43) KMT2ATHRBMAOBMEN1LMNA
SCHEMBL14117060 0.81 L3MBTL1 (0.33) THRBSMN1; SMN2L3MBTL1LMNA
SCHEMBL12769600 0.80 GAA (0.42) KMT2ATHRBCYP19A1SMN1; SMN2ASAH1
SCHEMBL12769637 0.80 THRB (0.48) KMT2ATHRBMEN1L3MBTL1LMNA
SCHEMBL14117057 0.80 PPARD (0.38) HPGDL3MBTL1LMNA
SCHEMBL11986145 0.79 FFAR1 (0.34) KMT2ATHRB

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-RE42221-E1 Polymerizable liquid crystal composition and polymer thereof CHISSO CORPORATION (JP) 2011-03-15 US disclosed
US-7393569-B2 Hexafluoroisopropylidenebis- and sulfonylbis-(phenoxycarbonylphenoxyalkyl acrylates); hexafluoroisopropylidenebis- and sulfonylbis-(phenoxycarbonylphenoxyalkyloxetanes; stabilizes polymerizable liquid crystal compositions for a long time and controls the alignment of liquid crystal molecules CHISSO CORPORATION (JP) 2008-07-01 US disclosed