SCHEMBL7903063

SCHEMBL7903063

CCCC[C@H]1CC[C@H](COc2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
DGAT1 O75907 1/20 0.40
FFAR4 Q5NUL3 3/20 0.39
FFAR1 O14842 1/20 0.37
PPARD Q03181 1/20 0.37
SCN9A Q15858 1/20 0.37
PDK2 Q15119 1/20 0.36
PARP15 Q460N3 2/20 0.35
PARP10 Q53GL7 2/20 0.35
PARP2 Q9UGN5 1/20 0.35

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
SCHEMBL7903066 1.00 RARA (0.40) RARARARBDGAT1FFAR4FFAR1
SCHEMBL7916916 0.89 FFAR4 (0.39) RARARARBDGAT1FFAR4FFAR1
SCHEMBL7916918 0.89 FFAR4 (0.39) RARARARBDGAT1FFAR4FFAR1
SCHEMBL7913388 0.89 FFAR4 (0.39) RARARARBDGAT1FFAR4FFAR1
SCHEMBL7734218 0.84 RARA (0.38) RARARARBFFAR4FFAR1PPARD
SCHEMBL15172774 0.84 DGAT1 (0.34) DGAT1FFAR4FFAR1SCN9APARP15
SCHEMBL7734224 0.84 RARA (0.38) RARARARBFFAR4FFAR1PPARD
SCHEMBL15744373 0.82 FFAR4 (0.38) RARARARBDGAT1FFAR4FFAR1
SCHEMBL7911463 0.81 SCN9A (0.35) FFAR4FFAR1SCN9APDK2PARP15
SCHEMBL13002937 0.81 PDK2 (0.40) FFAR4FFAR1PPARDSCN9APDK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820976-B1 FLUORINE-SUBSTITUTED LIQUID-CRYSTAL COMPOUND, LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY DEVICE CHISSO CORP (JP) 2001-02-21 EP disclosed
US-6051288-A LARGE DIELECTRIC ANISOTROPY, SMALL CHANGE IN THRESHOLD VOLTAGE DEPENDING ON TEMPERATURE, AND AN IMPROVED SOLUBILITY TO OTHER LIQUID CRYSTAL MATERIALS AT LOW TEMPERATURES CHISSO CORPORATION (JP) 2000-04-18 US disclosed
EP-0820976-A1 FLUORINE-SUBSTITUTED LIQUID-CRYSTAL COMPOUND, LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 1998-01-28 EP disclosed