SCHEMBL6017889

SCHEMBL6017889

Cc1cc(C#N)cc(Nc2ccccc2)c1C#CCC(O)(CC1(C)CCOc2ccc(S(C)(=O)=O)cc21)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.30

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
SCHEMBL3424234 0.87 NR3C1 (0.30)
SCHEMBL3424991 0.86
SCHEMBL13183166 0.78
SCHEMBL3429546 0.77 AKR1B1 (0.33)
SCHEMBL3429593 0.76 NR3C1 (0.32)
SCHEMBL3426803 0.75 AKR1B1 (0.33)
SCHEMBL3424846 0.75 NR3C1 (0.51)
SCHEMBL13183165 0.68 NR3C1 (0.41)
SCHEMBL13183167 0.65 AKR1B1 (0.33)
SCHEMBL3429053 0.63 AKR1B1 (0.41)

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-1727813-A1 2-PROPANOL AND 2-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-12-06 EP disclosed
WO-2005090336-A1 2-PROPANOL AND 2-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 WO disclosed