SCHEMBL6141799

SCHEMBL6141799

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 4/20 0.35
MAOB P27338 2/20 0.34
FFAR1 O14842 2/20 0.34
AOC3 Q16853 1/20 0.34
ACACB O00763 1/20 0.33
KIT P10721 1/20 0.33
KDM1A O60341 1/20 0.32
TEAD1 P28347 1/20 0.32
SLC6A4 P31645 1/20 0.32
P2RY6 Q15077 1/20 0.31
EPHX2 P34913 1/20 0.31
CHRM4 P08173 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
HTR2C P28335 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL9245870 0.96 MAOB (0.34) HAO1MAOBFFAR1AOC3ACACB
SCHEMBL9245859 0.96 MAOB (0.34) HAO1MAOBFFAR1AOC3ACACB
SCHEMBL6142152 0.84 ACACB (0.35) MAOBFFAR1AOC3ACACBKDM1A
SCHEMBL6141671 0.84 ACACB (0.40) MAOBFFAR1AOC3ACACBTEAD1
SCHEMBL6142057 0.84 ACACB (0.40) HAO1FFAR1ACACB
SCHEMBL6141774 0.83 HAO1 (0.33) HAO1FFAR1
SCHEMBL6142158 0.83 FFAR1 (0.36) HAO1MAOBFFAR1TEAD1P2RY6
SCHEMBL9712997 0.83 LIPE (0.39) HAO1MAOBFFAR1AOC3ACACB
SCHEMBL9712988 0.83 LIPE (0.39) HAO1MAOBFFAR1AOC3ACACB
SCHEMBL6142046 0.83 ACACB (0.34) MAOBFFAR1AOC3ACACBKDM1A

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