SCHEMBL8215972

SCHEMBL8215972

CCCCCC1CCC(CCc2ccc(-c3ccc(C4CCC(COC)CC4)c(F)c3F)cc2)CC1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RARB P10826 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
SPHK1 Q9NYA1 3/20 0.31
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C8 P10632 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
S1PR3 Q99500 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
SCHEMBL8215745 0.96 RARB (0.36) RARBFFAR4SPHK1
SCHEMBL8216052 0.93 ALOX5AP (0.32) FFAR4ALOX5APFEN1CYP2C9
SCHEMBL8216667 0.93 ALOX5AP (0.32) FFAR4ALOX5APFEN1CYP2C9
SCHEMBL8208566 0.92 FFAR4 (0.33) RARBFFAR4SPHK1ALOX5APFEN1
SCHEMBL8208520 0.92 FFAR4 (0.33) RARBFFAR4SPHK1ALOX5APFEN1
SCHEMBL18779733 0.87 RARB (0.35) GAAMAPTRARBFFAR4SPHK1
SCHEMBL15581191 0.84 RARB (0.32) GAAMAPTRARBFFAR4ALOX5AP
SCHEMBL18779735 0.84 GAA (0.35) GAAMAPTRARBSPHK1ALOX5AP
SCHEMBL18779736 0.84 MAOA (0.33) GAAMAPTRARBFFAR4SPHK1
SCHEMBL17487810 0.83 RARB (0.37) GAAMAPTRARBFFAR4SPHK1

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