SCHEMBL4044983

SCHEMBL4044983

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

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.60
CYP3A4 P08684 16/20 0.60
PGR P06401 3/20 0.60
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCNH2 Q12809 1/20 0.43
NR3C2 P08235 1/20 0.43

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
SCHEMBL5801771 0.85 NR3C1 (0.47) NR3C1CYP3A4PGRCYP2C9CYP2C19
SCHEMBL3686709 0.83 NR3C1 (0.45) NR3C1CYP3A4PGRCYP2C9CYP2C19
SCHEMBL3709589 0.82 NR3C1 (0.66) NR3C1CYP3A4PGRCYP2C9CYP2C19
SCHEMBL3826671 0.81 NR3C1 (0.45) NR3C1CYP3A4PGRCYP2C9CYP2C19
SCHEMBL3714466 0.79 NR3C1 (0.65) NR3C1CYP3A4PGRNR3C2
SCHEMBL3659224 0.79 NR3C1 (0.57) NR3C1CYP3A4PGRKCNH2
SCHEMBL4465001 0.77 NR3C1 (0.70) NR3C1CYP3A4PGRKCNH2NR3C2
SCHEMBL4044986 0.77 NR3C1 (0.45) NR3C1CYP3A4PGRCYP2C9CYP2C19
SCHEMBL3707341 0.77 NR3C1 (0.61) NR3C1CYP3A4PGRNR3C2
SCHEMBL15756226 0.76 NR3C1 (1.00) NR3C1CYP3A4PGRKCNH2NR3C2

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-2051710-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES Bausch & Lomb Incorporated (US) 2009-04-29 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-2008021729-A2 COMPOSITIONS AND METHODS FOR TREATING, REDUCING, AMELIORATING, OR ALLEVIATING POSTERIOR-SEGMENT OPHTHALMIC DISEASES BAUSCH & LOMB INCORPORATED (US) 2008-02-21 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