SCHEMBL6142241

SCHEMBL6142241

C=CCC[C@H]1CC[C@H](c2ccc(C#Cc3ccc(CC)cc3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.37
ESR2 Q92731 3/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
ACACB O00763 4/20 0.33
SPHK1 Q9NYA1 3/20 0.33
CYP2A6 P11509 1/20 0.33
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
EGLN3 Q9H6Z9 1/20 0.31
RET P07949 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
SCHEMBL6142326 0.90 SPHK1 (0.35) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL6142073 0.90 SPHK1 (0.39) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL6141825 0.89 SPHK1 (0.39) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL6142017 0.88 ESR2 (0.37) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL6142175 0.88 SPHK1 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6141688 0.87 SPHK1 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6142274 0.87 SPHK1 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6142068 0.87 SPHK1 (0.51) CYP2C9SPHK1
SCHEMBL6142053 0.86 FFAR1 (0.40) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL6141678 0.86 CYP2A6 (0.34) CYP2C9ESR2ALDH1A1LMNAMAPT

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-0930286-B1 LIQUID-CRYSTAL ALKENYLTOLAN DERIVATIVE, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORP (JP) 2005-01-12 EP disclosed
US-6333080-B1 HIGH ANISOTROPY, HIGH ELASTIC CONSTANT RATIO, EXCELLENT COMPARABILITY WITH OTHER LIQUID-CRYSTAL COMPOUNDS, AND LOW VISCOSITY AND ARE CHEMICALLY AND PHYSICALLY STABLE CHISSO CORPORATION (JP) 2001-12-25 US disclosed
EP-0930286-A1 LIQUID-CRYSTAL ALKENYLTOLAN DERIVATIVE, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1999-07-21 EP disclosed