SCHEMBL8452269

SCHEMBL8452269

FC/C=C/CC1CCC(CCc2ccc(-c3ccc(OC(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.37
CTSK P43235 1/20 0.37
CYP17A1 P05093 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
GRM2 Q14416 1/20 0.33
P2RX7 Q99572 4/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
GPR84 Q9NQS5 1/20 0.32
CHRM2 P08172 2/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
EPHX2 P34913 1/20 0.32
CHRM4 P08173 1/20 0.32

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
SCHEMBL8447952 0.86 CTSK (0.37) NAAACTSKGRM2EPHX2
SCHEMBL8453370 0.85 CYP17A1 (0.40) CYP17A1GPR84CHRM4
SCHEMBL8449354 0.83 KIF11 (0.48) GPR84
SCHEMBL8034197 0.83 NAAA (0.40) NAAACTSKCYP17A1FFAR4HCRTR1
SCHEMBL8456193 0.83 GPR84 (0.38) CYP17A1GRM2GPR84
SCHEMBL8451584 0.83 GPR84 (0.36) CYP17A1GPR84
SCHEMBL8452271 0.82 NAAA (0.35) NAAACTSKCYP17A1FFAR4GRM2
SCHEMBL8452267 0.82 NAAA (0.35) NAAACTSKCYP17A1FFAR4GRM2
SCHEMBL8452273 0.82 NAAA (0.35) NAAACTSKCYP17A1FFAR4GRM2
SCHEMBL8452265 0.82 NAAA (0.35) NAAACTSKCYP17A1FFAR4GRM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed