SCHEMBL4764413

SCHEMBL4764413

Cc1ccccc1-n1ncc2cc(C(O)(c3cn(CC(O)CO)c4ccccc34)C(F)(F)F)ccc21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 16/20 0.50
SMO Q99835 2/20 0.39
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL4285315 0.89 NR3C1 (0.55) NR3C1SMOCYP11B1CYP11B2
SCHEMBL4275048 0.86 NR3C1 (0.61) NR3C1SMO
SCHEMBL4283064 0.79 NR3C1 (0.63) NR3C1SMOCYP11B1CYP11B2
SCHEMBL3014503 0.78 NR3C1 (0.63) NR3C1SMO
SCHEMBL3014504 0.78 NR3C1 (0.63) NR3C1SMO
SCHEMBL3003795 0.78 NR3C1 (0.63) NR3C1SMO
SCHEMBL3003798 0.78 NR3C1 (0.63) NR3C1SMO
SCHEMBL3003792 0.78 NR3C1 (0.63) NR3C1SMO
SCHEMBL3020983 0.78 NR3C1 (0.60) NR3C1SMO
SCHEMBL13611164 0.77 NR3C1 (0.45) NR3C1SMOCYP11B1CYP11B2

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