SCHEMBL6559798

SCHEMBL6559798

CCCOC(c1ccccc1)C(C)OCC(C)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 1/20 0.39
AOC3 Q16853 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
HIF1A Q16665 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.36
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
SCN1A P35498 1/20 0.36
SCN2A Q99250 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
SCHEMBL6558980 0.91 LMNA (0.40) LMNATDP1KDM4EALDH1A1CYP3A4
SCHEMBL6558950 0.87 LMNA (0.44) LMNAKDM4EADRA2AADRA2CHIF1A
SCHEMBL6559691 0.84 LMNA (0.44) LMNAAOC3KDM4EADRA2AADRA2C
SCHEMBL10534307 0.84 NPC1 (0.40) LMNATDP1ALDH1A1
SCHEMBL6558908 0.82 LMNA (0.46) LMNAKDM4EADRA2AADRA2CHIF1A
SCHEMBL6560720 0.82 LMNA (0.44) LMNAHSD17B10AOC3KDM4EADRA2A
SCHEMBL6558628 0.81 LMNA (0.44) LMNAAOC3KDM4EADRA2AADRA2C
SCHEMBL4594703 0.80 LMNA (0.50) LMNATDP1HSD17B10AOC3KDM4E
SCHEMBL18312620 0.79 HTT (0.43) LMNAAOC3KDM4EADRA2ACHRM2
SCHEMBL29277742 0.79 HTT (0.43) LMNAAOC3KDM4EADRA2ACHRM2

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