SCHEMBL5828435

SCHEMBL5828435

CCCCCCCCCCOC1(C(=O)O)C=CC(c2ccccc2)=CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 12/20 0.39
CHRM4 P08173 12/20 0.39
CHRM5 P08912 12/20 0.39
CHRM1 P11229 12/20 0.39
CHRM3 P20309 12/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CNR2 P34972 1/20 0.37
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
NR5A1 Q13285 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL4182082 1.00 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4186206 1.00 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11363524 1.00 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9462289 1.00 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4184937 1.00 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL9842607 0.99 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8746286 0.94 HDAC3 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9849455 0.92 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27675590 0.91 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10903896 0.90 CNR2 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022259-B2 Liquid crystal compounds, preparation thereof, and composition containing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2006-04-04 US disclosed
US-20050189515-A1 Liquid crystal compounds, preparation thereof, and composition containing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2005-09-01 US disclosed
EP-0738312-A1 LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES THE SECRETARY OF STATE FOR DEFENCE (GB) 1996-10-23 EP disclosed
WO-1995018848-A1 LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES THE SECRETARY OF STATE FOR DEFENCE (GB) 1995-07-13 WO disclosed
US-5262086-A Used as photoelectric element utilizing response to an electric field; exhibits high optical purity SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) 1993-11-16 US disclosed
US-5184847-A Liquid crystal compounds SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) 1993-02-09 US disclosed
EP-0402233-A1 Liquid crystal compounds Showa Shell Sekiyu Kabushiki Kaisha (JP) 1990-12-12 EP disclosed
EP-0301511-A1 Optically active compound and liquid crystal composition containing same CANON KABUSHIKI KAISHA (JP) 1989-02-01 EP disclosed
CN-86101036-A Contain the liquid crystal material of terpenoid compound derivatives and the device of this material 1986-12-03 CN disclosed