SCHEMBL4556027

SCHEMBL4556027

COc1ccc(F)cc1C(C)(CF)CC(O)(Cc1cc2c(C)cncc2[nH]1)C(F)F

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.54
PGR P06401 8/20 0.54
CYP3A4 P08684 1/20 0.54
NR3C2 P08235 12/20 0.52

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
SCHEMBL4555971 0.90 NR3C1 (0.64) NR3C1PGRCYP3A4NR3C2
SCHEMBL4556423 0.86 NR3C1 (0.52) NR3C1PGRNR3C2
SCHEMBL3830789 0.86 NR3C1 (0.48) NR3C1PGRCYP3A4NR3C2
SCHEMBL4447862 0.85 NR3C1 (0.71) NR3C1PGRCYP3A4NR3C2
SCHEMBL3688034 0.84 NR3C1 (0.67) NR3C1PGRNR3C2
SCHEMBL3746290 0.83 NR3C1 (0.52) NR3C1PGRCYP3A4NR3C2
SCHEMBL4554745 0.82 NR3C1 (0.54) NR3C1PGRCYP3A4NR3C2
SCHEMBL3755290 0.81 NR3C1 (0.54) NR3C1PGRCYP3A4NR3C2
SCHEMBL3743370 0.81 NR3C1 (0.53) NR3C1PGRCYP3A4NR3C2
SCHEMBL676013 0.80 NR3C1 (0.53) NR3C1PGRCYP3A4NR3C2

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-2061444-A2 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, AMELIORATING, OR PREVENTING ALLERGY Bausch & Lomb Incorporated (US) 2009-05-27 EP disclosed
WO-2008033655-A2 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, AMELIORATING, OR PREVENTING ALLERGY BAUSCH & LOMB INCORPORATED (US) 2008-03-20 WO disclosed
EP-1673088-A1 1,1,1- TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO¬2,3-C|PYRIDIN-2-YLMETHYL)PENTAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS GLUCOCORTICOID LIGANDS FOR THE TREATMENT OF INFLAMMATORY DISEASES AND DIABETES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
WO-2005030213-A1 1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-07 WO disclosed