SCHEMBL6251969

SCHEMBL6251969

COc1ccc(F)cc1C(C)(C)CC1(C(F)(F)F)CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 12/20 0.42
NR3C1 P04150 19/20 0.42
PGR P06401 3/20 0.41

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
SCHEMBL1774481 0.86 NR3C2 (0.47) NR3C2NR3C1
SCHEMBL4697278 0.86 NR3C2 (0.47) NR3C2NR3C1
SCHEMBL3883095 0.86 NR3C2 (0.47) NR3C2NR3C1
SCHEMBL303242 0.86 NR3C2 (0.47) NR3C2NR3C1
SCHEMBL6246602 0.81 NR3C1 (0.39) NR3C2NR3C1PGR
SCHEMBL4469875 0.72 NR3C1 (0.35) NR3C2NR3C1
SCHEMBL4474597 0.72 NR3C2 (0.44) NR3C2NR3C1
SCHEMBL12549422 0.71 NR3C2 (0.36) NR3C2NR3C1PGR
SCHEMBL1716860 0.69 NR3C1 (0.40) NR3C2NR3C1PGR
SCHEMBL1716861 0.69 NR3C1 (0.40) NR3C2NR3C1PGR

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-1583745-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-10-12 EP disclosed
WO-2004063163-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-07-29 WO disclosed