SCHEMBL4427227

SCHEMBL4427227

Cc1ccccc1C(C)(CC(C)(O)Cc1ccnc2ccccc12)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 13/20 0.43
NR3C2 P08235 5/20 0.40
PGR P06401 3/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CYP1A2 P05177 1/20 0.36
CASR P41180 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL4448777 0.89 NR3C1 (0.46) NR3C1NR3C2PGRLOXL2CYP1A2
SCHEMBL3651952 0.88 NR3C1 (0.48) NR3C1NR3C2PGR
SCHEMBL292711 0.85 NR3C1 (0.53) NR3C1NR3C2PGR
SCHEMBL3655516 0.82 NR3C1 (0.44) NR3C1NR3C2PGRLOXL2CYP1A2
SCHEMBL3955241 0.82 NR3C1 (0.44) NR3C1LOXL2CYP1A2
SCHEMBL3684843 0.81 NR3C1 (0.41) NR3C1NR3C2PGRLOXL2CYP1A2
SCHEMBL3948012 0.79 NR3C1 (0.44) NR3C1NR3C2PGRLOXL2CYP1A2
SCHEMBL5248775 0.78 NR3C1 (0.48) NR3C1NR3C2PGR
SCHEMBL1633481 0.77 NR3C1 (0.48) NR3C1NR3C2PGRLOXL2
SCHEMBL1634894 0.77 NR3C1 (0.52) NR3C1NR3C2PGRLOXL2

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 6 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
EP-2056799-A2 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING GLAUCOMA OR PROGRESSION THEREOF Bausch & Lomb Incorporated (US) 2009-05-13 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
WO-2008027796-A2 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING GLAUCOMA OR PROGRESSION THEREOF BAUSCH & LOMB INCORPORATED (US) 2008-03-06 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