SCHEMBL8216667

SCHEMBL8216667

CCCC1CCC(c2ccc(-c3ccc(CCC4CCC(COC)CC4)cc3)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.32
FEN1 P39748 4/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
FFAR4 Q5NUL3 2/20 0.31
GPR84 Q9NQS5 1/20 0.30
OPRL1 P41146 1/20 0.30
CYP2C9 P11712 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
SCHEMBL8216052 1.00 ALOX5AP (0.32) ALOX5APFEN1MAOAMAOBFFAR4
SCHEMBL8215972 0.93 GAA (0.32) ALOX5APFEN1FFAR4CYP2C9
SCHEMBL8208520 0.93 FFAR4 (0.33) ALOX5APFEN1FFAR4
SCHEMBL8208566 0.93 FFAR4 (0.33) ALOX5APFEN1FFAR4
SCHEMBL8216560 0.89 CYP2C9 (0.41) ALOX5APFEN1OPRL1CYP2C9
SCHEMBL8220331 0.89 CYP2C9 (0.41) ALOX5APFEN1OPRL1CYP2C9
SCHEMBL8215745 0.89 RARB (0.36) FFAR4
SCHEMBL8216891 0.87 CHKA (0.34) MAOAMAOBFFAR4GPR84
SCHEMBL8216632 0.87 CHKA (0.34) MAOAMAOBFFAR4GPR84
SCHEMBL18779734 0.86 MAOA (0.34) ALOX5APFEN1MAOAMAOBFFAR4

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