SCHEMBL7913388

SCHEMBL7913388

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](COc3ccc(-c4cc(F)c(C(F)(F)F)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.39
DGAT1 O75907 1/20 0.37
FFAR1 O14842 1/20 0.37
PPARD Q03181 1/20 0.37
SCN9A Q15858 1/20 0.36
PDK2 Q15119 1/20 0.35
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
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
SCHEMBL7916916 1.00 FFAR4 (0.39) FFAR4DGAT1FFAR1PPARDSCN9A
SCHEMBL7916918 1.00 FFAR4 (0.39) FFAR4DGAT1FFAR1PPARDSCN9A
SCHEMBL7903063 0.89 RARA (0.40) FFAR4DGAT1FFAR1PPARDSCN9A
SCHEMBL7903066 0.89 RARA (0.40) FFAR4DGAT1FFAR1PPARDSCN9A
SCHEMBL13002739 0.89 SCN9A (0.37) FFAR1SCN9APDK2PARP15PARP10
SCHEMBL7910474 0.89 SCN9A (0.37) FFAR1SCN9APDK2PARP15PARP10
SCHEMBL7910476 0.89 SCN9A (0.37) FFAR1SCN9APDK2PARP15PARP10
SCHEMBL7910473 0.89 SCN9A (0.37) FFAR1SCN9APDK2PARP15PARP10
SCHEMBL15744373 0.86 FFAR4 (0.38) FFAR4DGAT1FFAR1PPARDSCN9A
SCHEMBL13002937 0.85 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