SCHEMBL7861902

SCHEMBL7861902

C=CCCc1ccc(C#Cc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
FFAR1 O14842 2/20 0.43
MIF P14174 1/20 0.42
MAOB P27338 2/20 0.41
DAO P14920 2/20 0.38
IDO1 P14902 2/20 0.37
KIF11 P52732 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
PDPK1 O15530 1/20 0.35

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
SCHEMBL6141768 0.95 MAOB (0.49) TAAR1FFAR1MIFMAOBDAO
SCHEMBL7858799 0.95 MAOB (0.49) TAAR1FFAR1MIFMAOBDAO
SCHEMBL8803722 0.89 TAAR1 (0.55) TAAR1MIFMAOBDAOIDO1
SCHEMBL6142060 0.88 HTR2C (0.42) TAAR1FFAR1MIFMAOBIDO1
SCHEMBL29637029 0.86 FFAR1 (0.41) FFAR1
SCHEMBL6142089 0.83 MAOB (0.48) TAAR1FFAR1MIFMAOB
SCHEMBL6141734 0.80 MAOB (0.45) TAAR1FFAR1MIFMAOBKIF11
SCHEMBL7858869 0.80 FFAR1 (0.41) TAAR1FFAR1MIFMAOB
SCHEMBL7857874 0.80 FFAR1 (0.46) FFAR1MAOBDAO
SCHEMBL7859018 0.79 KIF11 (0.39) FFAR1DAOKIF11

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