SCHEMBL7076723

SCHEMBL7076723

O=C(O)/C=C/CC(F)(F)C(F)(F)C/C=C/C(=O)O.O=C(O)C(F)(F)C(F)(F)F.[NaH]

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.35
GABRR2 P28476 2/20 0.35
BLM P54132 2/20 0.35
GABRR3 A8MPY1 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
APEX1 P27695 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
THRB P10828 1/20 0.34
ACLY P53396 2/20 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
SCHEMBL3084515 0.85 TSHR (0.46) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL3084517 0.85 TSHR (0.46) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL712787 0.77 TSHR (0.42) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL1538365 0.77 TSHR (0.42) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL4600709 0.74 THRB (0.40) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL447585 0.73 THRB (0.55) TSHRTHRBACLY
SCHEMBL20625018 0.73 TSHR (0.42) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL455399 0.72 TSHR (0.46) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL14801551 0.72 TSHR (0.46) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL63977 0.71 THRB (0.58) TSHRTHRBACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030194378-A1 Novel aerosol formulation containing a polar fluorinated molecule ASTRAZENECA AB (SE) 2003-10-16 US disclosed