SCHEMBL8452265

SCHEMBL8452265

FCC/C=C/[C@H]1CC[C@H](CCc2ccc(-c3ccc(OC(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.35
CTSK P43235 1/20 0.35
FFAR4 Q5NUL3 1/20 0.32
P2RX7 Q99572 4/20 0.31
GRM2 Q14416 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CHRM2 P08172 2/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
EPHX2 P34913 1/20 0.31
CHRM4 P08173 1/20 0.31
FAAH O00519 1/20 0.30
CYP17A1 P05093 1/20 0.30

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
SCHEMBL8452267 1.00 NAAA (0.35) NAAACTSKFFAR4P2RX7GRM2
SCHEMBL8452271 1.00 NAAA (0.35) NAAACTSKFFAR4P2RX7GRM2
SCHEMBL8452273 1.00 NAAA (0.35) NAAACTSKFFAR4P2RX7GRM2
SCHEMBL8452587 0.92 P2RX7 (0.35) P2RX7HCRTR1HCRTR2CHRM2EPHX2
SCHEMBL8452592 0.92 P2RX7 (0.35) P2RX7HCRTR1HCRTR2CHRM2EPHX2
SCHEMBL8452589 0.92 P2RX7 (0.35) P2RX7HCRTR1HCRTR2CHRM2EPHX2
SCHEMBL8449096 0.89 P2RX7 (0.33) P2RX7HCRTR1HCRTR2CHRM2EPHX2
SCHEMBL8449088 0.89 P2RX7 (0.33) P2RX7HCRTR1HCRTR2CHRM2EPHX2
SCHEMBL8449092 0.89 P2RX7 (0.33) P2RX7HCRTR1HCRTR2CHRM2EPHX2
SCHEMBL8453368 0.86 CYP17A1 (0.35) GPR84CYP17A1

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