SCHEMBL4668329

SCHEMBL4668329

CCC(C(C)(C)c1cc(F)cc2c1OCC2)C(O)(C(=O)O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 15/20 0.42
NR3C2 P08235 14/20 0.42
PGR P06401 13/20 0.42
PARP1 P09874 1/20 0.41
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
AR P10275 1/20 0.33
RIPK1 Q13546 1/20 0.32
PTGES O14684 1/20 0.31
GYS1 P13807 1/20 0.30

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
SCHEMBL564457 0.76 NR3C1 (0.54) NR3C1NR3C2PGRPARP1PTGS1
SCHEMBL4668326 0.74 NR3C1 (0.44) NR3C1NR3C2PGRPARP1PTGS1
SCHEMBL1635036 0.72 PARP1 (0.48) NR3C1NR3C2PGRPARP1PTGS1
SCHEMBL14081359 0.71 NR3C1 (0.62) NR3C1NR3C2PGRPARP1PTGS1
SCHEMBL1775739 0.71 NR3C2 (0.48) NR3C1NR3C2
SCHEMBL14081376 0.71 NR3C1 (0.59) NR3C1NR3C2PGRPARP1PTGS1
SCHEMBL3957430 0.70 NR3C1 (0.51) NR3C1NR3C2PGRPARP1PTGS1
SCHEMBL14189079 0.70 NR3C1 (0.48) NR3C1NR3C2PGRPARP1PTGS1
SCHEMBL563723 0.69 NR3C1 (0.62) NR3C1NR3C2PGRPARP1PTGS1
SCHEMBL3690152 0.69 NR3C1 (0.57) NR3C1NR3C2PGRPARP1PTGS1

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
EP-1982976-A1 Process for the manufacture of non-steroidal anti-inflammatory agents and intermediates thereof Intendis GmbH (DE) 2008-10-22 EP disclosed