SCHEMBL8219356

SCHEMBL8219356

CCCC1CCC(CCc2cc(F)c(-c3ccc(CCC4CCC(COC)CC4)cc3)cc2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 11/20 0.35
MAOB P27338 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
S1PR1 P21453 1/20 0.32
RARB P10826 1/20 0.32

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
SCHEMBL8220224 1.00 FFAR4 (0.35) FFAR4MAOBGPR84S1PR1RARB
SCHEMBL8217592 0.87 RARB (0.38) FFAR4MAOBGPR84S1PR1RARB
SCHEMBL8215846 0.87 RARB (0.38) FFAR4MAOBGPR84S1PR1RARB
SCHEMBL8217753 0.87 OPRL1 (0.33) FFAR4GPR84S1PR1RARB
SCHEMBL8220251 0.87 OPRL1 (0.33) FFAR4GPR84S1PR1RARB
SCHEMBL8215809 0.86 RARB (0.34) MAOBGPR84RARB
SCHEMBL8219129 0.86 RARB (0.34) MAOBGPR84RARB
SCHEMBL8216891 0.83 CHKA (0.34) FFAR4MAOBGPR84
SCHEMBL8216632 0.83 CHKA (0.34) FFAR4MAOBGPR84
SCHEMBL8218845 0.83 CYP2C9 (0.36) FFAR4GPR84S1PR1RARB

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