SCHEMBL7859050

SCHEMBL7859050

C=CCCc1ccc(C#C[C@H]2CC[C@H](c3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.39
FFAR4 Q5NUL3 2/20 0.36
ACACB O00763 1/20 0.34
GRM2 Q14416 1/20 0.32
TEAD1 P28347 1/20 0.32
FAAH O00519 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HAO1 Q9UJM8 1/20 0.31
HTR2C P28335 1/20 0.31
KDM1A O60341 2/20 0.31
GPR84 Q9NQS5 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
EPHX2 P34913 1/20 0.31
RCOR1 Q9UKL0 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
SCHEMBL6141675 0.92 FFAR1 (0.39) FFAR1ACACBGRM2TEAD1L3MBTL1
SCHEMBL7851966 0.86 FFAR1 (0.37) FFAR1FFAR4ACACB
SCHEMBL9713419 0.86 FFAR1 (0.41) FFAR1FFAR4ACACBGRM2KDM1A
SCHEMBL7858869 0.86 FFAR1 (0.41) FFAR1FFAR4TEAD1HTR2C
SCHEMBL9713425 0.86 FFAR1 (0.41) FFAR1FFAR4ACACBGRM2KDM1A
SCHEMBL7858861 0.85 FFAR1 (0.41) FFAR1FFAR4ACACB
SCHEMBL9713636 0.84 ACACB (0.40) FFAR1FFAR4ACACBGRM2FAAH
SCHEMBL9713629 0.84 ACACB (0.40) FFAR1FFAR4ACACBGRM2FAAH
SCHEMBL7858884 0.84 FFAR1 (0.44) FFAR1FFAR4
SCHEMBL9713535 0.84 SPHK1 (0.43) FFAR1FFAR4ACACB

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