SCHEMBL7734218

SCHEMBL7734218

CCCCCC1CCC(COc2ccc(-c3cc(F)c(OC(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
FFAR4 Q5NUL3 5/20 0.37
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
FFAR1 O14842 1/20 0.35
PPARD Q03181 1/20 0.35
SCN9A Q15858 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL7734224 1.00 RARA (0.38) RARARARBFFAR4KDM1AMAOB
SCHEMBL7903066 0.84 RARA (0.40) RARARARBFFAR4FFAR1PPARD
SCHEMBL7903063 0.84 RARA (0.40) RARARARBFFAR4FFAR1PPARD
SCHEMBL9266452 0.83 KDM1A (0.41) KDM1AMAOBTDP1
SCHEMBL9266447 0.83 KDM1A (0.41) KDM1AMAOBTDP1
SCHEMBL12621702 0.83 SCN9A (0.33) RARARARBFFAR4FFAR1SCN9A
SCHEMBL8018345 0.83 PARP10 (0.40) FFAR4SCN9A
SCHEMBL8018349 0.83 PARP10 (0.40) FFAR4SCN9A
SCHEMBL7913377 0.81 SCN9A (0.41) FFAR1PPARDSCN9A
SCHEMBL7913376 0.81 SCN9A (0.41) FFAR1PPARDSCN9A

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-6372153-B1 HIGHER DIELECTRIC ANISOTROPY, EXCELLENT IN MISCIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUNDS, LOW VISCOSITY, STABLE CHEMICALLY AND PHYSICALLY CHISSO CORPORATION (JP) 2002-04-16 US disclosed
EP-1020423-A1 FLUOROALKOXYBENZENE DERIVATIVES HAVING ETHER BOND, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2000-07-19 EP disclosed