SCHEMBL5200411

SCHEMBL5200411

CC(=O)Oc1ccc(Cl)cc1CN1CCN([S+]([O-])Cc2ccccc2)CC1C

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.49
POLB P06746 1/20 0.43
CCR1 P32246 1/20 0.37
PTGER1 P34995 1/20 0.36

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
SCHEMBL1714383 0.77 PTGDR2 (0.78) PTGDR2POLB
SCHEMBL5198743 0.77 MEN1 (0.41) PTGDR2
SCHEMBL5199330 0.76 PTGDR2 (0.48) PTGDR2CCR1
SCHEMBL1713552 0.72 PTGDR2 (0.78) PTGDR2CCR1
SCHEMBL27748339 0.72 PTGDR2 (0.78) PTGDR2CCR1
SCHEMBL5201562 0.70 PTGDR2 (0.73) PTGDR2
SCHEMBL4608065 0.70 PTGDR2 (0.73) PTGDR2
SCHEMBL27833995 0.70 PTGDR2 (0.76) PTGDR2
SCHEMBL5264635 0.68 PTGDR2 (0.75) PTGDR2
SCHEMBL1714650 0.68 PTGDR2 (0.78) PTGDR2

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-1817282-A1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES AstraZeneca AB (SE) 2007-08-15 EP disclosed
WO-2006056752-A1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2006-06-01 WO disclosed