SCHEMBL4216751

SCHEMBL4216751

COc1cccc(C[C@@H](COc2ccc3c(cnn3-c3ccc(F)cc3)c2)NC(=O)c2cc3ccccc3s2)c1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 6/20 0.50
NR3C1 P04150 14/20 0.48
PGR P06401 3/20 0.48

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
SCHEMBL3814256 0.83 NR3C1 (0.52) NR3C1PGR
SCHEMBL4330705 0.82 NR3C1 (0.49) NR3C1PGR
SCHEMBL833894 0.81 NR3C1 (0.72) NR3C1PGR
SCHEMBL833895 0.81 NR3C1 (0.72) NR3C1PGR
SCHEMBL12805643 0.75 NR3C1 (0.56) NR3C1PGR
SCHEMBL4456539 0.74 NR3C1 (0.52) NR3C1PGR
SCHEMBL12805049 0.72 NR3C1 (0.59) NR3C1PGR
SCHEMBL4222836 0.71 NR3C1 (0.54) NR3C1PGR
SCHEMBL9943265 0.70 NR3C1 (0.50) NR3C1PGR
SCHEMBL4327025 0.70 NR3C1 (0.55) NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009142568-A1 COMBINATION OF (A) GLUCOCORTICOID RECEPTOR MODULATOR AND (B) A B2-AGONIST ASTRAZENECA AB (SE) 2009-11-26 WO disclosed