SCHEMBL6142158

SCHEMBL6142158

C=CCC[C@H]1CC[C@H](C#Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.36
LSS P48449 2/20 0.34
BACE1 P56817 1/20 0.33
P2RY6 Q15077 1/20 0.33
MAOB P27338 1/20 0.33
FFAR4 Q5NUL3 2/20 0.32
KIF11 P52732 1/20 0.31
TEAD1 P28347 2/20 0.30
HAO1 Q9UJM8 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
SCHEMBL6141779 0.83 FFAR1 (0.38) FFAR1BACE1MAOBFFAR4HAO1
SCHEMBL6142240 0.83 FFAR1 (0.38) FFAR1MAOBFFAR4HAO1
SCHEMBL6141799 0.83 HAO1 (0.35) FFAR1P2RY6MAOBFFAR4TEAD1
SCHEMBL9243765 0.83 FFAR1 (0.35) FFAR1P2RY6FFAR4
SCHEMBL9247671 0.83 FFAR1 (0.35) FFAR1P2RY6FFAR4
SCHEMBL6142089 0.83 MAOB (0.48) FFAR1LSSMAOBTEAD1
SCHEMBL6142321 0.83 HTR2C (0.43) LSSMAOB
SCHEMBL21250209 0.82 FFAR1 (0.44) FFAR1BACE1P2RY6MAOBFFAR4
SCHEMBL9500078 0.82 FFAR1 (0.38) FFAR1LSSBACE1P2RY6MAOB
SCHEMBL9500084 0.82 FFAR1 (0.38) FFAR1LSSBACE1P2RY6MAOB

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