SCHEMBL6142198

SCHEMBL6142198

C=CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C#Cc4ccc(Br)cc4)cc3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.35
CYP2C9 P11712 2/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
P2RY14 Q15391 1/20 0.32
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
MMP9 P14780 1/20 0.31
DGAT1 O75907 2/20 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
SCHEMBL6142044 0.96 ESR2 (0.38) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6142238 0.95 ESR2 (0.37) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7859049 0.92 ESR2 (0.35) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6142259 0.87 DGAT1 (0.36) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6142023 0.87 HRH3 (0.38) ESR2MEN1MAPK1KMT2AP2RY14
SCHEMBL6142035 0.87 FFAR1 (0.37) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6141795 0.85 P2RY14 (0.46) ESR2P2RY14DGAT1
SCHEMBL6142058 0.85 GPR84 (0.36)
SCHEMBL6142274 0.83 SPHK1 (0.37) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6142059 0.83 ACACB (0.39) CYP2C9ALDH1A1MEN1KMT2ADGAT1

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