SCHEMBL4761900

SCHEMBL4761900

CC(O)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F.OC(COc1ccc(Cl)cc1Cl)(c1ccc2c(cnn2-c2ccccc2)c1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 15/20 0.46
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL4276267 0.95 NR3C1 (0.50) NR3C1CYP11B1CYP11B2MAPTALDH1A1
SCHEMBL4276148 0.88 NR3C1 (0.48) NR3C1CYP11B1CYP11B2
SCHEMBL4278755 0.87 NR3C1 (0.52) NR3C1CYP11B1CYP11B2
SCHEMBL4283300 0.87 NR3C1 (0.60) NR3C1
SCHEMBL4280464 0.86 NR3C1 (0.56) NR3C1CYP11B1CYP11B2
SCHEMBL4274871 0.86 NR3C1 (0.48) NR3C1CYP11B1CYP11B2
SCHEMBL4273810 0.85 NR3C1 (0.52) NR3C1CYP11B1CYP11B2
SCHEMBL4280389 0.84 NR3C1 (0.48) NR3C1CYP11B1CYP11B2
SCHEMBL4273944 0.84 NR3C1 (0.49) NR3C1CYP11B1CYP11B2
SCHEMBL4280449 0.83 NR3C1 (0.52) NR3C1CYP11B1CYP11B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893588-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2008-03-05 EP claimed
WO-2006135826-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-21 WO claimed