SCHEMBL8216632

SCHEMBL8216632

CCCC1CCC(CCc2ccc(-c3ccc(CCC4CCC(COC)CC4)c(F)c3F)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.34
MAOB P27338 3/20 0.32
MAOA P21397 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
FFAR4 Q5NUL3 2/20 0.31
HRH3 Q9Y5N1 1/20 0.30
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
AOC3 Q16853 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
SCHEMBL8216891 1.00 CHKA (0.34) CHKAMAOBMAOAGPR84FFAR4
SCHEMBL8216782 0.89 CYP2C9 (0.39) FFAR4
SCHEMBL8217720 0.89 CYP2C9 (0.39) FFAR4
SCHEMBL9630563 0.88 MAOB (0.39) CHKAMAOBMAOAGPR84HRH3
SCHEMBL9630559 0.88 MAOB (0.39) CHKAMAOBMAOAGPR84HRH3
SCHEMBL15381460 0.87 CHKA (0.36) CHKAMAOBMAOAGPR84HRH3
SCHEMBL8216667 0.87 ALOX5AP (0.32) MAOBMAOAGPR84FFAR4
SCHEMBL8216052 0.87 ALOX5AP (0.32) MAOBMAOAGPR84FFAR4
SCHEMBL9487373 0.86 RARB (0.36) CHKAMAOBMAOAGPR84HRH3
SCHEMBL9487378 0.86 RARB (0.36) CHKAMAOBMAOAGPR84HRH3

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-6117361-A FOUR RING COMPOUND HAVING AN ALKYL GROUP SUBSTITUTED WITH ONE OR MORE ETHERS, AND A HALOGEN ATOM SUBSTITUTED BENZENE RING; BROAD TEMPERATURE RANGE OF NEMATIC PHASE, HIGHER MISCIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS, AND CHEMICAL STABILITY CHISSO CORP. (JP) 2000-09-12 US disclosed
EP-0891961-A1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED 1,4-PHENYLENE SKELETONS, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORPORATION (JP) 1999-01-20 EP disclosed