SCHEMBL1069674

SCHEMBL1069674

CC(F)C(F)(F)C(F)(F)OC(F)(F)C(Cl)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
PRCP P42785 4/20 0.34
KIF11 P52732 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
PTPN5 P54829 1/20 0.32
GRIA4 P48058 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CASR P41180 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL770341 0.68 PTPN5 (0.34) KIF11PTPN5
SCHEMBL16426382 0.64 PTGS2 (0.54) PTGS2KIF11GRIA4ALDH1A1
SCHEMBL8750479 0.64 PTGS2 (0.54) PTGS2GRIA4ALDH1A1CYP1A2
SCHEMBL19706344 0.63 PTGS2 (0.48) PTGS2PRCPKIF11CTSLCTSB
SCHEMBL969145 0.63
SCHEMBL769991 0.63 MAOB (0.30)
SCHEMBL11296451 0.61 PTGS2 (0.50) PTGS2PRCPGRIA4ALDH1A1ALOX12
SCHEMBL28933413 0.61 KIF11 (0.48) PTGS2KIF11CTSLCTSBCTSS
SCHEMBL17878536 0.61 PTGS2 (0.50) PTGS2GRIA4ALDH1A1
SCHEMBL12417430 0.61 PTGS2 (0.50) PTGS2PRCPGRIA4ALDH1A1CYP1A2

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
EP-2440520-A1 FLUORINATED AROMATIC BIS(ACYL)-CONTAINING COMPOUNDS AND POLYESTERS PREPARED THEREFROM 3M Innovative Properties Company (US) 2012-04-18 EP disclosed
WO-2011005396-A1 FLUORINATED AROMATIC BIS(ACYL)-CONTAINING COMPOUNDS AND POLYESTERS PREPARED THEREFROM 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-01-13 WO disclosed