SCHEMBL6662044

SCHEMBL6662044

CCc1ccc(C(F)(F)OCCc2cc(F)c(C(F)(F)F)c(F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.35
FFAR4 Q5NUL3 3/20 0.34
TAAR1 Q96RJ0 2/20 0.33
KIF11 P52732 2/20 0.32
IDO1 P14902 4/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
PDE2A O00408 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
SCHEMBL6665746 0.90 TAAR1 (0.35) DAOTAAR1IDO1
SCHEMBL6662997 0.89 KIF11 (0.33) FFAR4TAAR1KIF11IDO1EDNRB
SCHEMBL6661191 0.87 HTR2A (0.38)
SCHEMBL6664131 0.86 KIF11 (0.33) DAOFFAR4TAAR1KIF11IDO1
SCHEMBL6667080 0.85 DAO (0.40) DAOFFAR4TAAR1KIF11IDO1
SCHEMBL6664049 0.84 FFAR4 (0.35) FFAR4TAAR1KIF11EDNRBEDNRA
SCHEMBL6663192 0.83 CYP2A6 (0.35) FFAR4KIF11EDNRBEDNRA
SCHEMBL6662025 0.82 TAAR1 (0.46) DAOTAAR1IDO1
SCHEMBL6661336 0.82 FFAR4 (0.34) FFAR4EDNRBEDNRA
SCHEMBL7722827 0.81 DAO (0.36) DAOFFAR4TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed