SCHEMBL6556072

SCHEMBL6556072

COc1ccccc1C(C)(C)CC(O)(C(=O)O)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 17/20 0.54
NR3C2 P08235 7/20 0.52
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PGR P06401 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44

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
SCHEMBL1775956 0.85 NR3C1 (0.67) NR3C1NR3C2PGR
SCHEMBL1775018 0.85 NR3C1 (0.67) NR3C1NR3C2PGR
SCHEMBL1775343 0.85 NR3C1 (0.67) NR3C1NR3C2PGR
SCHEMBL5780730 0.82 NR3C2 (0.43) NR3C1NR3C2PGR
SCHEMBL3536771 0.80 POLB (0.46) NR3C1NR3C2GLAL3MBTL1PGR
SCHEMBL6554688 0.79 NR3C1 (0.51) NR3C1NR3C2PGRPDK1PDK2
SCHEMBL3532068 0.78 NR3C2 (0.49) NR3C1NR3C2PGR
SCHEMBL6582083 0.77 NR3C2 (0.49) NR3C1NR3C2PGRPDK1PDK2
SCHEMBL5207875 0.77 NR3C1 (0.53) NR3C1NR3C2PGR
SCHEMBL3536773 0.76 MEN1 (0.44) NR3C1NR3C2GLAL3MBTL1PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133486-B1 NONSTEROIDAL ANTIINFLAMMATORIES SCHERING AG (DE) 2004-12-22 EP disclosed
CN-1171883-C Nonsteroidal antiinflammatories ���ֹɷݹ�˾ 2004-10-20 CN disclosed
CN-1334809-A Non-steroidal anti-inflammatory drugs SCHERING AG (DE) 2002-02-06 CN disclosed
US-6323199-B1 AROMATIC HETEROCYCLIC HYDROXY AMINES OR AMIDES FOR TREATMENT OF INFLAMMATION SCHERING AKTIENGESELLSCHAFT (DE) 2001-11-27 US disclosed
EP-1133486-A2 NONSTEROIDAL ANTIINFLAMMATORIES SCHERING AKTIENGESELLSCHAFT (DE) 2001-09-19 EP disclosed
WO-2000032584-A2 NONSTEROIDAL ANTIINFLAMMATORIES SCHERING AKTIENGESELLSCHAFT (DE) 2000-06-08 WO disclosed