SCHEMBL5808161

SCHEMBL5808161

Cc1cc(CC(=O)O)n(C2CCCCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNJ3 P48549 19/20 0.50
KCNJ6 P48051 18/20 0.50
KCNJ5 P48544 16/20 0.50

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
SCHEMBL16347382 0.81 KDM4E (0.43) KCNJ3KCNJ6KCNJ5
SCHEMBL31475474 0.81 RXRA (0.49) KCNJ3KCNJ6KCNJ5
SCHEMBL25400204 0.75 KCNJ3 (0.45) KCNJ3KCNJ6KCNJ5
SCHEMBL31637861 0.74 HCAR3 (0.36) KCNJ3KCNJ6KCNJ5
SCHEMBL5804886 0.73 EGFR (0.48) KCNJ3KCNJ6KCNJ5
SCHEMBL21604007 0.73 DRD2 (0.34) KCNJ3KCNJ6KCNJ5
SCHEMBL23240277 0.73 DRD2 (0.38) KCNJ3KCNJ6KCNJ5
SCHEMBL6525498 0.73 KDM4E (0.46) KCNJ3KCNJ6KCNJ5
SCHEMBL3364096 0.72 ALDH1A1 (0.49) KCNJ3KCNJ6KCNJ5
SCHEMBL31462462 0.72 ALDH1A1 (0.49) KCNJ3KCNJ6KCNJ5

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
WO-2006075955-A1 PYRAZOLYL ACYLSULFONAMIDE DERIVATIVES AS ENDOTHELIN CONVERTING ENZYME INHIBITORS AND USEFUL IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ASTRAZENECA AB (SE) 2006-07-20 WO disclosed