SCHEMBL6944529

SCHEMBL6944529

O=C(O)C(F)CCCCCCCCCCF

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.65
GSR P00390 1/20 0.37
CPB2 Q96IY4 3/20 0.36
GPR84 Q9NQS5 3/20 0.35
RNPEP Q9H4A4 1/20 0.35
FFAR1 O14842 1/20 0.35
LCK P06239 1/20 0.34
PPARD Q03181 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
FOLH1 Q04609 6/20 0.32
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL7386467 0.98 MAPT (0.61) MAPTGSRCPB2GPR84RNPEP
SCHEMBL6582876 0.90
SCHEMBL9620494 0.90 MAPT (0.77) MAPTGSRCPB2GPR84RNPEP
SCHEMBL9620682 0.90 MAPT (0.77) MAPTGSRCPB2GPR84RNPEP
SCHEMBL9621069 0.90 MAPT (0.77) MAPTGSRCPB2GPR84RNPEP
SCHEMBL9620798 0.90 MAPT (0.77) MAPTGSRCPB2GPR84RNPEP
SCHEMBL9620776 0.87 MAPT (0.73) MAPTGSRGPR84RNPEPFFAR1
SCHEMBL1010539 0.80 MAPT (0.41) MAPTGSRCPB2GPR84RNPEP
SCHEMBL1009847 0.80 MAPT (0.41) MAPTGSRCPB2GPR84RNPEP
SCHEMBL6709817 0.79

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-1087957-A4 AUTOINDUCER COMPOUNDS UNIV MONTANA RES DEV INST (US) 2003-01-02 EP disclosed
EP-1087957-A1 AUTOINDUCER COMPOUNDS THE RESEARCH AND DEVELOPMENT INSTITUTE, INC (US) 2001-04-04 EP disclosed
WO-1999065889-A1 AUTOINDUCER COMPOUNDS THE RESEARCH AND DEVELOPMENT INSTITUTE (US) 1999-12-23 WO disclosed