SCHEMBL7859063

SCHEMBL7859063

C=CC(CC)[C@H]1CC[C@H](c2ccc(C#C[C@H]3CC[C@H](Br)CC3)cc2)CC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.32
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 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
SCHEMBL7851940 0.88 FFAR1 (0.34) FFAR1GRIA1GRIA2GRIA3
SCHEMBL7851804 0.88 GRIA1 (0.35) FFAR1GRIA1GRIA2GRIA3
SCHEMBL8411376 0.88 FFAR1 (0.32) FFAR1GRIA1GRIA2GRIA3
SCHEMBL7857863 0.86 BACE1 (0.34) FFAR1GRIA1GRIA2GRIA3
SCHEMBL7858879 0.85 FFAR1 (0.30) FFAR1
SCHEMBL7861860 0.83
SCHEMBL7861903 0.80
SCHEMBL6142132 0.80 FFAR1 (0.42) FFAR1
SCHEMBL6142153 0.80 FFAR1 (0.36) FFAR1GRIA1GRIA2GRIA3
SCHEMBL6141742 0.80 FFAR1 (0.36) FFAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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