SCHEMBL8216702

SCHEMBL8216702

CCCCCC1CCC(c2ccc(-c3ccc(CCC4CCC(COC)CC4)cc3F)cc2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.35
RARB P10826 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
KDM1A O60341 7/20 0.33
FAAH O00519 1/20 0.32
PTGS2 P35354 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
SCHEMBL8215078 0.89 RARB (0.43) RARBFFAR4KDM1A
SCHEMBL8214806 0.89 RARB (0.39) OPRL1RARBFFAR4KDM1A
SCHEMBL8220704 0.88 OPRL1 (0.38) OPRL1FFAR4
SCHEMBL8220268 0.88 RARB (0.38) RARBFFAR4
SCHEMBL8216736 0.87 OPRL1 (0.35) OPRL1FFAR4KDM1A
SCHEMBL8208432 0.87 OPRL1 (0.41) OPRL1FFAR4
SCHEMBL8215969 0.86 RARB (0.41) RARBFFAR4KDM1A
SCHEMBL8211949 0.85 OPRL1 (0.35) OPRL1RARBFFAR4KDM1A
SCHEMBL8208612 0.84 RARB (0.40) RARBFFAR4
SCHEMBL8210666 0.84 SPHK1 (0.42) RARBFFAR4

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