SCHEMBL8215975

SCHEMBL8215975

COCC1CCC(c2ccc(-c3ccc(C4CCC(CCCF)CC4)c(F)c3)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.38
FFAR4 Q5NUL3 1/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
DGAT1 O75907 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
FASN P49327 1/20 0.30
APP P05067 1/20 0.30
GPR119 Q8TDV5 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
SCHEMBL8220704 0.91 OPRL1 (0.38) OPRL1FFAR4CYP3A4CYP2C9DGAT1
SCHEMBL8218456 0.91 CYP3A4 (0.39) OPRL1FFAR4CYP3A4CYP2C9DGAT1
SCHEMBL8220131 0.90 OPRL1 (0.39) OPRL1FFAR4CYP3A4CYP2C9DGAT1
SCHEMBL8218502 0.89 OPRL1 (0.40) OPRL1FFAR4DGAT1GPR119
SCHEMBL8215857 0.88 OPRL1 (0.41) OPRL1FFAR4DGAT1GPR119
SCHEMBL8214955 0.88 OPRL1 (0.33) OPRL1CYP3A4CYP2C9
SCHEMBL7912954 0.86 CYP3A4 (0.38) OPRL1FFAR4CYP3A4CYP2C9DGAT1
SCHEMBL7912958 0.86 CYP3A4 (0.38) OPRL1FFAR4CYP3A4CYP2C9DGAT1
SCHEMBL8217728 0.85 OPRL1 (0.35) OPRL1FFAR4CYP3A4CYP2C9DGAT1
SCHEMBL8208468 0.85 OPRL1 (0.35) OPRL1FFAR4CYP3A4CYP2C9DGAT1

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