SCHEMBL6142185

SCHEMBL6142185

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.42
P2RY14 Q15391 1/20 0.40
ESR2 Q92731 3/20 0.35
IDO1 P14902 1/20 0.34
DGAT1 O75907 2/20 0.34
SOAT1 P35610 1/20 0.34
LSS P48449 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
HSD11B1 P28845 1/20 0.32
MAOB P27338 1/20 0.32
CYP2C9 P11712 2/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
GRM2 Q14416 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
SCHEMBL6142321 0.99 HTR2C (0.43) HTR2CP2RY14ESR2IDO1DGAT1
SCHEMBL6142200 0.95 HTR2C (0.40) HTR2CP2RY14ESR2IDO1DGAT1
SCHEMBL6141795 0.95 P2RY14 (0.46) HTR2CP2RY14ESR2IDO1DGAT1
SCHEMBL6142060 0.85 HTR2C (0.42) HTR2CP2RY14IDO1HSD11B1MAOB
SCHEMBL6142238 0.84 ESR2 (0.37) ESR2ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6141761 0.84 FFAR1 (0.39) ESR2DGAT1SOAT1ALDH1A1LMNA
SCHEMBL6142115 0.84 ESR2 (0.37) ESR2IDO1LSSALDH1A1LMNA
SCHEMBL6141780 0.84 ESR2 (0.37) ESR2ALDH1A1LMNAMAPTHSD11B1
SCHEMBL6142046 0.84 ACACB (0.34) ESR2MAOBGRM2
SCHEMBL6142089 0.83 MAOB (0.48) LSSMAOB

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