SCHEMBL3709591

SCHEMBL3709591

CC(CF)CC(O)(Cc1cc2cc(OC(C)C)ncc2[nH]1)C(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 11/20 0.50
CYP3A4 P08684 9/20 0.50
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35
NR3C2 P08235 1/20 0.34
PGR P06401 2/20 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
SCHEMBL4044986 0.84 NR3C1 (0.45) NR3C1CYP3A4NR3C2PGRKCNH2
SCHEMBL5801773 0.83 NR3C1 (0.37) NR3C1CYP3A4NR3C2PGRKCNH2
SCHEMBL4223561 0.82 NR3C1 (0.35) NR3C1CYP3A4NR3C2PGRKCNH2
SCHEMBL3714468 0.78 NR3C1 (0.50) NR3C1CYP3A4NR3C2PGR
SCHEMBL3709589 0.78 NR3C1 (0.66) NR3C1CYP3A4NR3C2PGRKCNH2
SCHEMBL3752102 0.78 NR3C1 (0.43) NR3C1CYP3A4NR3C2PGRKCNH2
SCHEMBL5798392 0.77 NR3C1 (0.54) NR3C1CYP3A4NR3C2PGRKCNH2
SCHEMBL3707342 0.76 NR3C1 (0.45) NR3C1CYP3A4NR3C2PGR
SCHEMBL3748995 0.76 NR3C1 (0.69) NR3C1CYP3A4NR3C2PGRKCNH2
SCHEMBL3655671 0.75 LOXL2 (0.40) NR3C1NR3C2PGR

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-2203160-A1 PHARMACOLOGICAL ADJUNCTIVE TREATMENT ASSOCIATED WITH GLAUCOMA FILTRATION SURGERY Bausch & Lomb Incorporated (US) 2010-07-07 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-2009042377-A1 PHARMACOLOGICAL ADJUNCTIVE TREATMENT ASSOCIATED WITH GLAUCOMA FILTRATION SURGERY BAUSCH & LOMB INCORPORATED (US) 2009-04-02 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