SCHEMBL6142152

SCHEMBL6142152

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ESR2 Q92731 2/20 0.34
KDM1A O60341 2/20 0.34
RCOR1 Q9UKL0 1/20 0.34
MAOB P27338 2/20 0.33
EPHX2 P34913 2/20 0.33
AOC3 Q16853 1/20 0.33
GRM2 Q14416 1/20 0.31
TEAD1 P28347 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A4 P31645 1/20 0.31
FAAH O00519 1/20 0.31
FFAR1 O14842 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
SCHEMBL6142046 0.99 ACACB (0.34) ACACBL3MBTL1ESR2KDM1ARCOR1
SCHEMBL6142243 0.96 ACACB (0.33) ACACBL3MBTL1ESR2KDM1ARCOR1
SCHEMBL6141770 0.96 L3MBTL1 (0.38) ACACBL3MBTL1ESR2KDM1ARCOR1
SCHEMBL13433664 0.89 L3MBTL1 (0.37) L3MBTL1ESR2KDM1ARCOR1EPHX2
SCHEMBL6141675 0.87 FFAR1 (0.39) ACACBL3MBTL1KDM1ARCOR1MAOB
SCHEMBL6141671 0.85 ACACB (0.40) ACACBMAOBAOC3TEAD1SLC6A4
SCHEMBL6141799 0.84 HAO1 (0.35) ACACBKDM1AMAOBEPHX2AOC3
SCHEMBL6141690 0.84 ACACB (0.41) ACACBESR2MAOBMEN1KMT2A
SCHEMBL7858833 0.84 ESR2 (0.32) ACACBESR2
SCHEMBL6142321 0.84 HTR2C (0.43) ESR2MAOBGRM2

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