SCHEMBL8218322

SCHEMBL8218322

C=C(CC)CCC1CCC(C2CCC(CCC)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.36
LMNA P02545 2/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8209577 0.92 LMNA (0.34) LMNAMAPK1HTTCYP2C9ALDH1A1
SCHEMBL8220795 0.89 HTT (0.40) LMNAMAPK1HTTCYP2C9ALDH1A1
SCHEMBL8219166 0.87 HTT (0.40) LMNAMAPK1HTTCYP2C9MAPT
SCHEMBL8218348 0.84 LMNA (0.30) LMNAMAPK1HTT
SCHEMBL8218343 0.84 LMNA (0.30) LMNAMAPK1HTT
SCHEMBL8215928 0.82 TLR4 (0.40) TLR4LMNAMAPK1HTTCYP2C9
SCHEMBL8216852 0.79 TLR4 (0.35) TLR4CYP2C9
SCHEMBL5836340 0.78 TLR4 (0.42) TLR4LMNAMAPK1HTTCYP2C9
SCHEMBL5836344 0.78 TLR4 (0.42) TLR4LMNAMAPK1HTTCYP2C9
SCHEMBL6697654 0.78 TLR4 (0.42) TLR4LMNAMAPK1HTTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8325173-A None JP disclosed
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
JP-H08325173-A LIQUID CRYSTAL COMPOUND HAVING EXOMETHYLENE MOIETY AND LIQUID CRYSTAL COMPOSITION CONTAINING THE COMPOUND CHISSO CORP 1996-12-10 JP 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