SCHEMBL3838701

SCHEMBL3838701

CCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2OOC(C)=O)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.54
PTGDR2 Q9Y5Y4 17/20 0.48
BACE1 P56817 1/20 0.40
DDR1 Q08345 1/20 0.37

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
SCHEMBL3838842 0.88 PTGDR2 (0.46) ABCB11PTGDR2DDR1
SCHEMBL2099776 0.83 PTGDR2 (0.69) ABCB11PTGDR2
SCHEMBL2101327 0.81 ABCB11 (0.55) ABCB11PTGDR2
SCHEMBL2101477 0.81 ABCB11 (0.81) ABCB11PTGDR2
SCHEMBL2102331 0.81 ABCB11 (0.81) ABCB11PTGDR2
SCHEMBL2101324 0.79 ABCB11 (0.65) ABCB11PTGDR2
SCHEMBL5174343 0.78 ABCB11 (0.53) ABCB11PTGDR2BACE1DDR1
SCHEMBL3839887 0.78 ABCB11 (0.48) ABCB11PTGDR2BACE1
SCHEMBL5430463 0.75 PTGDR2 (0.60) ABCB11PTGDR2DDR1
SCHEMBL1753566 0.73 PTGDR2 (0.72) ABCB11PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784388-B3 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2012-09-05 EP disclosed
EP-1784388-B1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2009-11-04 EP disclosed
EP-1784388-A1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE AstraZeneca AB (SE) 2007-05-16 EP disclosed
WO-2006021759-A1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2006-03-02 WO disclosed