SCHEMBL8528696

SCHEMBL8528696

CCCCOc1ccc(/C=C/C#C/C=C/c2ccc(CC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
AHR P35869 1/20 0.51
CISD1 Q9NZ45 1/20 0.46
MAOB P27338 2/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
HDAC10 Q969S8 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
PDE4A P27815 1/20 0.44
HIF1A Q16665 1/20 0.44
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
PTPN1 P18031 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL8528699 1.00 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL8531027 0.94 LMNA (0.54) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL8531029 0.94 LMNA (0.54) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL8526871 0.89 AHR (0.50) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL8528365 0.89 AHR (0.50) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL8526872 0.89 AHR (0.50) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL8528367 0.89 AHR (0.50) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL8528871 0.88 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL8528873 0.88 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL8528533 0.87 MAOB (0.58) SMN1; SMN2ALDH1A1LMNAMAPTHPGD

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-0733610-B1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device CHISSO CORP (JP) 1998-10-28 EP disclosed
US-5635108-A A HEXYNEDIENE DERIVATIVE CHISSO CORPORATION (JP) 1997-06-03 US disclosed
EP-0733610-A1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device Chisso Corporation (JP) 1996-09-25 EP disclosed