SCHEMBL4552144

SCHEMBL4552144

Cc1ccc(F)cc1C(C)(CF)CC(O)(Cc1cc2ccnc(F)c2[nH]1)C(F)F

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.44
NR3C2 P08235 12/20 0.44
PGR P06401 7/20 0.44
CYP3A4 P08684 7/20 0.44
KCNH2 Q12809 1/20 0.39

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
SCHEMBL2567840 0.90 NR3C1 (0.52) NR3C1NR3C2PGRCYP3A4KCNH2
SCHEMBL6669693 0.84 NR3C1 (0.64) NR3C1NR3C2PGRCYP3A4
SCHEMBL3685155 0.83 NR3C1 (0.63) NR3C1NR3C2PGRCYP3A4KCNH2
SCHEMBL676416 0.80 NR3C1 (0.64) NR3C1NR3C2PGRCYP3A4
SCHEMBL4555711 0.80 NR3C1 (0.54) NR3C1NR3C2PGRCYP3A4KCNH2
SCHEMBL3752990 0.79 NR3C1 (0.49) NR3C1NR3C2PGRCYP3A4KCNH2
SCHEMBL292335 0.78 NR3C1 (0.69) NR3C1NR3C2PGRCYP3A4KCNH2
SCHEMBL6669369 0.78 NR3C1 (0.53) NR3C1NR3C2PGRCYP3A4KCNH2
SCHEMBL3748995 0.78 NR3C1 (0.69) NR3C1NR3C2PGRCYP3A4KCNH2
SCHEMBL4555971 0.77 NR3C1 (0.64) NR3C1NR3C2PGRCYP3A4

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