SCHEMBL7859005

SCHEMBL7859005

C=CCCc1ccc(C#Cc2ccc(Cl)c(F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 15/20 0.35
▸ FFAR4 Q5NUL3 2/20 0.35
▸ PLAU P00749 1/20 0.33
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ PNMT P11086 1/20 0.31
▸ TAAR1 Q96RJ0 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
SCHEMBL6142160 0.96 FFAR1 (0.33) FFAR1FFAR4PLAUTAAR1
SCHEMBL7860143 0.96 FFAR1 (0.33) FFAR1FFAR4PLAUTAAR1
SCHEMBL6141686 0.89 FFAR4 (0.31) FFAR4
SCHEMBL8821833 0.83 FFAR1 (0.37) FFAR1FFAR4PLAUACACB
SCHEMBL25797007 0.82 PNMT (0.41) MAPTMAPK1PNMTTAAR1
SCHEMBL6142237 0.81 GPR84 (0.34) —
SCHEMBL29637029 0.80 FFAR1 (0.41) FFAR1FFAR4
SCHEMBL9473097 0.80 ACACB (0.40) FFAR1FFAR4ACACB
SCHEMBL7859065 0.80 TRPV4 (0.41) FFAR1FFAR4
SCHEMBL7859018 0.80 KIF11 (0.39) FFAR1FFAR4PLAU

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
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