SCHEMBL6142089

SCHEMBL6142089

C=CCC[C@H]1CC[C@H](CCc2ccc(C#Cc3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.48
TAAR1 Q96RJ0 1/20 0.37
FFAR1 O14842 1/20 0.36
MIF P14174 1/20 0.35
MAOA P21397 1/20 0.34
TEAD1 P28347 5/20 0.34
LSS P48449 1/20 0.34

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
SCHEMBL6141734 0.96 MAOB (0.45) MAOBTAAR1FFAR1MIFMAOA
SCHEMBL6142321 0.84 HTR2C (0.43) MAOBLSS
SCHEMBL6141830 0.84 MAOB (0.46) MAOBFFAR1MAOA
SCHEMBL6142269 0.84 MAOB (0.46) MAOBFFAR1MAOA
SCHEMBL6142085 0.84 MAOB (0.46) MAOBMAOA
SCHEMBL6141729 0.84 MAOB (0.50) MAOBFFAR1MAOA
SCHEMBL6141671 0.84 ACACB (0.40) MAOBFFAR1TEAD1
SCHEMBL6142185 0.83 HTR2C (0.42) MAOBLSS
SCHEMBL7861902 0.83 TAAR1 (0.46) MAOBTAAR1FFAR1MIF
SCHEMBL6142158 0.83 FFAR1 (0.36) MAOBFFAR1TEAD1LSS

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