SCHEMBL8209577

SCHEMBL8209577

C=C(CC)CCC1CCC(CCC2CCC(CCC)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 1/20 0.34
CYP2C9 P11712 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.31
FYN P06241 1/20 0.31

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
SCHEMBL8220795 0.92 HTT (0.40) LMNAMAPK1HTTCYP2C9MAPT
SCHEMBL8218322 0.92 TLR4 (0.36) LMNAMAPK1HTTCYP2C9MAPT
SCHEMBL8218348 0.87 LMNA (0.30) LMNAMAPK1HTT
SCHEMBL8218343 0.87 LMNA (0.30) LMNAMAPK1HTT
SCHEMBL8219166 0.80 HTT (0.40) LMNAMAPK1HTTCYP2C9MAPT
SCHEMBL8220227 0.79 CYP2C9 (0.52) LMNAMAPK1CYP2C9MAPTALDH1A1
SCHEMBL7900557 0.76 CYP1A2 (0.46) LMNAMAPK1HTTCYP2C9MAPT
SCHEMBL7900555 0.76 CYP1A2 (0.46) LMNAMAPK1HTTCYP2C9MAPT
SCHEMBL10479877 0.76 CYP1A2 (0.46) LMNAMAPK1HTTCYP2C9MAPT
SCHEMBL10479873 0.76 CYP1A2 (0.46) LMNAMAPK1HTTCYP2C9MAPT

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
US-6143198-A SUITABLE FOR USE AS ELECTRO-OPTICAL DISPLAY MATERIALS; LIQUID CRYSTALLINE COMPOUND HAVING A LARGE ELASTIC CONSTANT RATIO, EXCELLENT COMPATIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUND, AND LOW TEMPERATURE CHEMICAL STABILITY CHISSO CORPORATION (JP) 2000-11-07 US disclosed
EP-0828700-A1 LIQUID CRYSTALLINE COMPOUNDS HAVING EXO-METHYLENE SITE AND LIQUID CRYSTAL COMPOSITIONS COMPRISING THE SAME CHISSO CORPORATION (JP) 1998-03-18 EP disclosed
WO-1996037451-A1 LIQUID CRYSTALLINE COMPOUNDS HAVING EXO-METHYLENE SITE AND LIQUID CRYSTAL COMPOSITIONS COMPRISING THE SAME CHISSO CORPORATION (JP) 1996-11-28 WO disclosed