SCHEMBL8214809

SCHEMBL8214809

CCCCCC1CCC(c2ccc(-c3ccc(CCCCC4CCC(C(CC)OC)CC4)cc3F)cc2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.36
FAAH O00519 1/20 0.32
PTGS2 P35354 1/20 0.32
FFAR4 Q5NUL3 2/20 0.31
RARA P10276 1/20 0.31
RARG P13631 1/20 0.31
OPRL1 P41146 4/20 0.31
HTR2A P28223 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 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
SCHEMBL8211953 0.96 RARB (0.32) RARBFFAR4OPRL1
SCHEMBL8216752 0.90 OPRL1 (0.32) FFAR4OPRL1
SCHEMBL8214806 0.86 RARB (0.39) RARBFFAR4RARARARGOPRL1
SCHEMBL8216097 0.86 RARB (0.35) RARBFFAR4
SCHEMBL8211949 0.83 OPRL1 (0.35) RARBFFAR4OPRL1
SCHEMBL8216702 0.83 OPRL1 (0.35) RARBFAAHPTGS2FFAR4OPRL1
SCHEMBL8208571 0.82 SPHK1 (0.33)
SCHEMBL19722089 0.81 RARB (0.41) RARBFFAR4RARARARGOPRL1
SCHEMBL8267401 0.81 OPRL1 (0.38) FFAR4OPRL1
SCHEMBL21321659 0.80 RARB (0.45) RARBFFAR4RARARARGOPRL1

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