SCHEMBL7858799

SCHEMBL7858799

C=CCCc1ccc(-c2ccc(C#Cc3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.49
KIF11 P52732 6/20 0.45
TAAR1 Q96RJ0 1/20 0.42
FFAR1 O14842 2/20 0.40
FDFT1 P37268 2/20 0.40
MIF P14174 1/20 0.40
DAO P14920 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 1.00 MAOB (0.49) MAOBKIF11TAAR1FFAR1FDFT1
SCHEMBL7861902 0.95 TAAR1 (0.46) MAOBKIF11TAAR1FFAR1MIF
SCHEMBL8803722 0.85 TAAR1 (0.55) MAOBTAAR1MIFDAO
SCHEMBL6141734 0.84 MAOB (0.45) MAOBKIF11TAAR1FFAR1FDFT1
SCHEMBL6142060 0.84 HTR2C (0.42) MAOBTAAR1FFAR1MIF
SCHEMBL29637029 0.82 FFAR1 (0.41) FFAR1
SCHEMBL6142034 0.81 FFAR1 (0.43) MAOBKIF11FFAR1DAO
SCHEMBL7861862 0.81 FFAR1 (0.43) MAOBKIF11FFAR1DAO
SCHEMBL18540207 0.80 MAOB (0.44) MAOBKIF11TAAR1FDFT1MIF
SCHEMBL6141697 0.80 TAAR1 (0.37) MAOBTAAR1FFAR1

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