SCHEMBL7775240

SCHEMBL7775240

CCCCCC[C@H](C)Oc1ccc(-c2ccc(-c3ccc(O[C@@H](C)CCCCCC)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.41
SLC2A1 P11166 1/20 0.41
GPR88 Q9GZN0 1/20 0.41
ALDH1A1 P00352 1/20 0.41
BDKRB2 P30411 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.39
NR5A1 Q13285 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP19A1 P11511 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL7775241 1.00 RARB (0.41) RARBSLC2A1GPR88ALDH1A1BDKRB2
SCHEMBL16187783 1.00 RARB (0.41) RARBSLC2A1GPR88ALDH1A1BDKRB2
SCHEMBL10631999 0.94 SLC2A1 (0.45) SLC2A1GPR88ALDH1A1MAPTNR5A1
SCHEMBL10600538 0.94 SLC2A1 (0.45) SLC2A1GPR88ALDH1A1MAPTNR5A1
SCHEMBL4354702 0.94 SLC2A1 (0.45) SLC2A1GPR88ALDH1A1MAPTNR5A1
SCHEMBL419570 0.94 SLC2A1 (0.45) SLC2A1GPR88ALDH1A1MAPTNR5A1
SCHEMBL9461059 0.93 MAPT (0.48) RARBGPR88ALDH1A1CYP2D6CYP3A4
SCHEMBL12808526 0.93 PPARG (0.38) RARBSLC2A1GPR88ALDH1A1BDKRB2
SCHEMBL7663742 0.92 NR5A1 (0.51) RARBGPR88ALDH1A1CYP3A4NR5A1
SCHEMBL12991115 0.92 MGLL (0.41) RARBSLC2A1GPR88ALDH1A1BDKRB2

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-0782995-B1 Optically active Bis-methyldioxan derivatives and their use for electro-optical displays ROLIC AG (CH) 2001-08-16 EP disclosed
US-6225479-B1 LIQUID CRYSTALLINE MIXTURES; ELECTRO-OPTICAL DEVICES ROLIC AG (CH) 2001-05-01 US disclosed
EP-0782995-A2 Optically active Bis-methyldioxan derivatives and their use for electro-optical displays Rolic AG (CH) 1997-07-09 EP disclosed