SCHEMBL6675290

SCHEMBL6675290

CC(=O)OC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
CTNNB1 P35222 2/20 0.43
WNT3A P56704 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CNR2 P34972 2/20 0.42
MAOB P27338 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA5 P08648 1/20 0.41
CES2 O00748 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGS1 P23219 1/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40

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
SCHEMBL1405144 0.89 LMNA (0.58) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL3549198 0.83 LMNA (0.49) LMNAGAACTNNB1WNT3ANPC1
SCHEMBL28799431 0.83 LMNA (0.49) LMNAGAACTNNB1WNT3ANPC1
SCHEMBL11428661 0.82 ITGB1 (0.38) LMNANPC1ITGB1ITGA5CES2
SCHEMBL45490 0.81 LMNA (0.59) LMNAGAA
SCHEMBL10519876 0.81 LMNA (0.58) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL3430652 0.81 LMNA (0.50) LMNAGAACTNNB1WNT3ACNR2
SCHEMBL30084385 0.80 TSHR (0.52) LMNANPC1ITGB1ITGA5TDP1
SCHEMBL2778 0.80 TSHR (0.52) LMNANPC1ITGB1ITGA5TDP1
SCHEMBL27570825 0.79 LMNA (0.56) LMNAGAACTNNB1WNT3ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839155-B1 CYSTEINE PROTEASE INHIBITORS FOR USE IN TREATMENT OF IgE MEDIATED ALLERGIC DISEASES MEDIVIR UK LTD (GB) 2004-10-13 EP claimed
EP-0839155-A1 CYSTEINE PROTEASE INHIBITORS FOR USE IN TREATMENT OF IgE MEDIATED ALLERGIC DISEASES PEPTIDE THERAPEUTICS LIMITED (GB) 1998-05-06 EP claimed
WO-1997004004-A1 CYSTEINE PROTEASE INHIBITORS FOR USE IN TREATMENT OF IgE MEDIATED ALLERGIC DISEASES PEPTIDE THERAPEUTICS LIMITED (GB) 1997-02-06 WO claimed
EP-3377060-A1 PYRAZOLE COMPOUNDS AND METHODS OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2018-09-26 EP disclosed
EP-0839155-B1 CYSTEINE PROTEASE INHIBITORS FOR USE IN TREATMENT OF IgE MEDIATED ALLERGIC DISEASES MEDIVIR UK LTD (GB) 2004-10-13 EP disclosed
US-6034066-A ANTIALLERGENS PEPTIDE THERAPEUTICS LIMITED (GB) 2000-03-07 US disclosed
EP-0839155-A1 CYSTEINE PROTEASE INHIBITORS FOR USE IN TREATMENT OF IgE MEDIATED ALLERGIC DISEASES PEPTIDE THERAPEUTICS LIMITED (GB) 1998-05-06 EP disclosed
WO-1997004004-A1 CYSTEINE PROTEASE INHIBITORS FOR USE IN TREATMENT OF IgE MEDIATED ALLERGIC DISEASES PEPTIDE THERAPEUTICS LIMITED (GB) 1997-02-06 WO disclosed