SCHEMBL6558628

SCHEMBL6558628

CC(O)COC(C)C(OC(C)C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 4/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
HIF1A Q16665 1/20 0.35
TSHR P16473 2/20 0.34
SCN1A P35498 2/20 0.34
SCN2A Q99250 2/20 0.34
SCN3A Q9NY46 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AOC3 Q16853 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
SCHEMBL6558908 0.85 LMNA (0.46) LMNAALDH1A1KDM4EADRA2AADRA2C
SCHEMBL6559691 0.83 LMNA (0.44) LMNAALDH1A1KDM4EADRA2AADRA2C
SCHEMBL6558950 0.83 LMNA (0.44) LMNAALDH1A1KDM4EADRA2AADRA2C
SCHEMBL6559798 0.81 LMNA (0.42) LMNAALDH1A1KDM4EADRA2AADRA2C
SCHEMBL6560512 0.81 LMNA (0.42) LMNAALDH1A1KDM4EADRA2AADRA2C
SCHEMBL11834783 0.81 LMNA (0.42) LMNAALDH1A1KDM4EADRA2AADRA2C
SCHEMBL16103787 0.79 LMNA (0.50) LMNAALDH1A1KDM4EADRA2AADRA2C
SCHEMBL15214945 0.79 LMNA (0.50) LMNAALDH1A1KDM4EADRA2AADRA2C
SCHEMBL4594703 0.79 LMNA (0.50) LMNAALDH1A1KDM4EADRA2AADRA2C
SCHEMBL6558980 0.78 LMNA (0.40) LMNAALDH1A1KDM4E

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-0735403-B1 Liquid crystal orienting agent JSR CORP (JP) 2004-03-17 EP disclosed
US-5700860-A Liquid crystal orienting agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1997-12-23 US disclosed
EP-0735403-A1 Liquid crystal orienting agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1996-10-02 EP disclosed