SCHEMBL5094579

SCHEMBL5094579

Cc1ccc2c(NCC(C)(O)C(F)(F)F)cccc2n1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.60
LATS1 O95835 1/20 0.46
PGR P06401 3/20 0.42
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
CYP2C19 P33261 1/20 0.39
NCF1 P14598 1/20 0.39

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
SCHEMBL3650311 0.81 NR3C1 (0.71) NR3C1PGRPOLBMEN1KMT2A
SCHEMBL4817558 0.78 NR3C1 (0.66) NR3C1PGRPOLBMEN1KMT2A
SCHEMBL6105646 0.77 NR3C1 (0.77) NR3C1PGRPOLBMEN1KMT2A
SCHEMBL4824848 0.77 NR3C1 (0.86) NR3C1PGR
SCHEMBL3650510 0.76 NR3C1 (1.00) NR3C1PGR
SCHEMBL16303304 0.75 NR3C1 (0.49) NR3C1POLBMEN1KMT2ACYP2C19
SCHEMBL3651593 0.74 NR3C1 (1.00) NR3C1PGR
SCHEMBL5173892 0.73 NR3C1 (0.53) NR3C1PGRPOLBMEN1KMT2A
SCHEMBL4822532 0.72 NR3C1 (0.61) NR3C1PGRPOLBMEN1KMT2A
SCHEMBL6169279 0.72 NR3C1 (0.61) NR3C1PGRPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008509191-A 2008-03-27 JP claimed
EP-1776119-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2007-04-25 EP claimed
WO-2006015870-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-02-16 WO claimed