SCHEMBL6554328

SCHEMBL6554328

COc1ccccc1C1(CC(O)(C(=O)Nc2ccc3c(c2)COC3=O)C(F)(F)F)CC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 15/20 0.62
PGR P06401 15/20 0.62
NR3C2 P08235 8/20 0.59
MAPT P10636 3/20 0.47
HSD17B10 Q99714 1/20 0.46
IMPDH2 P12268 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL6554278 0.93 NR3C1 (0.69) NR3C1PGRNR3C2MAPTHSD17B10
SCHEMBL6585383 0.85 PGR (0.66) NR3C1PGRNR3C2MAPTKDM4E
SCHEMBL6554522 0.84 PGR (0.67) NR3C1PGRNR3C2MAPTIMPDH2
SCHEMBL5075925 0.83 NR3C1 (0.54) NR3C1PGRNR3C2MAPTIMPDH2
SCHEMBL6586035 0.81 PGR (0.64) NR3C1PGRNR3C2MAPTKDM4E
SCHEMBL6006710 0.81 PGR (0.56) NR3C1PGRNR3C2MAPTIMPDH2
SCHEMBL4454877 0.81 PGR (0.56) NR3C1PGRNR3C2MAPTIMPDH2
SCHEMBL6555539 0.81 PGR (0.85) NR3C1PGRNR3C2
SCHEMBL6585839 0.80 PGR (0.62) NR3C1PGRNR3C2MAPTKDM4E
SCHEMBL6556615 0.80 MAPT (0.54) NR3C1PGRNR3C2MAPTHSD17B10

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 10 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-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