SCHEMBL6141815

SCHEMBL6141815

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
USP30 Q70CQ3 1/20 0.34
HSD11B1 P28845 1/20 0.34
CYP2C9 P11712 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
EGLN2 Q96KS0 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL6141780 0.99 ESR2 (0.37) ESR2GRIA1GRIA2GRIA3MEN1
SCHEMBL6142023 0.96 HRH3 (0.38) ESR2GRIA1GRIA2GRIA3MEN1
SCHEMBL6142069 0.96 GRIA1 (0.36) ESR2GRIA1GRIA2GRIA3MEN1
SCHEMBL6455631 0.96 ESR2 (0.41) ESR2GRIA1GRIA2GRIA3MEN1
SCHEMBL6455639 0.96 ESR2 (0.41) ESR2GRIA1GRIA2GRIA3MEN1
SCHEMBL7559277 0.92 HRH3 (0.40) ESR2GRIA1GRIA2GRIA3MEN1
SCHEMBL7559274 0.92 HRH3 (0.40) ESR2GRIA1GRIA2GRIA3MEN1
SCHEMBL9055349 0.87 ESR2 (0.39) ESR2GRIA1GRIA2GRIA3MEN1
SCHEMBL9344750 0.87 ESR2 (0.39) ESR2GRIA1GRIA2GRIA3MEN1
SCHEMBL10514878 0.86 ESR2 (0.38) ESR2GRIA1GRIA2GRIA3MEN1

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