SCHEMBL6142243

SCHEMBL6142243

C=CCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(C#Cc4ccc(OC(F)(F)F)cc4)cc3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM1A O60341 2/20 0.32
RCOR1 Q9UKL0 1/20 0.32
ESR2 Q92731 1/20 0.32
EPHX2 P34913 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAOB P27338 2/20 0.32
AOC3 Q16853 1/20 0.32
GRM2 Q14416 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
SCHEMBL6142152 0.96 ACACB (0.35) ACACBL3MBTL1KDM1ARCOR1ESR2
SCHEMBL6142046 0.95 ACACB (0.34) ACACBL3MBTL1KDM1ARCOR1ESR2
SCHEMBL6141770 0.93 L3MBTL1 (0.38) ACACBL3MBTL1KDM1ARCOR1ESR2
SCHEMBL13433664 0.93 L3MBTL1 (0.37) L3MBTL1KDM1ARCOR1ESR2EPHX2
SCHEMBL6142170 0.85 ACACB (0.39) ACACBMEN1KMT2AMAOB
SCHEMBL6141733 0.85
SCHEMBL6142200 0.85 HTR2C (0.40) ESR2MAOBGRM2
SCHEMBL6453367 0.84 EPHX2 (0.36) L3MBTL1KDM1ARCOR1ESR2EPHX2
SCHEMBL6453371 0.84 EPHX2 (0.36) L3MBTL1KDM1ARCOR1ESR2EPHX2
SCHEMBL6141675 0.84 FFAR1 (0.39) ACACBL3MBTL1KDM1ARCOR1EPHX2

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