SCHEMBL6554522

SCHEMBL6554522

O=C1OCc2cc(NC(=O)C(O)(CC3(c4cc(F)ccc4O)CC3)C(F)(F)F)ccc21

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 16/20 0.67
NR3C1 P04150 15/20 0.67
NR3C2 P08235 7/20 0.67
IMPDH2 P12268 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6554278 0.89 NR3C1 (0.69) PGRNR3C1NR3C2IMPDH2KDM4E
SCHEMBL6554328 0.84 NR3C1 (0.62) PGRNR3C1NR3C2IMPDH2KDM4E
SCHEMBL5075925 0.84 NR3C1 (0.54) PGRNR3C1NR3C2IMPDH2KDM4E
SCHEMBL6006710 0.84 PGR (0.56) PGRNR3C1NR3C2IMPDH2KDM4E
SCHEMBL4454877 0.84 PGR (0.56) PGRNR3C1NR3C2IMPDH2KDM4E
SCHEMBL6585383 0.84 PGR (0.66) PGRNR3C1NR3C2KDM4EMAPT
SCHEMBL6586035 0.81 PGR (0.64) PGRNR3C1NR3C2KDM4EMAPT
SCHEMBL5075920 0.81 PGR (0.56) PGRNR3C1NR3C2KDM4EMAPT
SCHEMBL5075912 0.80 PGR (0.61) PGRNR3C1NR3C2KDM4EMAPT
SCHEMBL6554312 0.80 PGR (1.00) PGRNR3C1NR3C2

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

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