SCHEMBL6558908

SCHEMBL6558908

COC(c1ccccc1)C(C)OCC(C)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
THRB P10828 1/20 0.44
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 2/20 0.36
KDM4E B2RXH2 3/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2C P18825 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 4/20 0.35
RCE1 Q9Y256 1/20 0.35
HTT P42858 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL6559691 0.85 LMNA (0.44) LMNACYP3A4KDM4EADRA2AADRA2C
SCHEMBL6558628 0.85 LMNA (0.44) LMNAKDM4EADRA2AADRA2CHIF1A
SCHEMBL6558950 0.85 LMNA (0.44) LMNAKDM4EADRA2AADRA2CHIF1A
SCHEMBL6560512 0.82 LMNA (0.42) LMNASLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL6559798 0.82 LMNA (0.42) LMNACYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL11834783 0.82 LMNA (0.42) LMNAKDM4EADRA2AADRA2CHIF1A
SCHEMBL16103787 0.80 LMNA (0.50) LMNACYP3A4CYP2D6KDM4EADRA2A
SCHEMBL4594703 0.80 LMNA (0.50) LMNACYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL15214945 0.80 LMNA (0.50) LMNACYP3A4CYP2D6KDM4EADRA2A
SCHEMBL6558980 0.80 LMNA (0.40) LMNACYP3A4KDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1782877-A Anti-corrosion agent composition DAICEL CHEM (JP) 2006-06-07 CN disclosed
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