SCHEMBL6554491

SCHEMBL6554491

CC(C)(O)c1cccc2c1OCC2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
NR3C1 P04150 8/20 0.47
PGR P06401 7/20 0.46
NR3C2 P08235 7/20 0.46
AR P10275 1/20 0.38
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
SSTR4 P31391 1/20 0.33
DAO P14920 1/20 0.33
CA2 P00918 1/20 0.32

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
SCHEMBL4612499 0.85 PARP1 (0.47) PARP1NR3C1PGRNR3C2AR
SCHEMBL12505563 0.79 NR3C1 (0.48) PARP1NR3C1PGRNR3C2AR
SCHEMBL30862506 0.78 PARP1 (0.47) PARP1NR3C1PGRNR3C2AR
SCHEMBL5520778 0.77 NR3C1 (0.49) PARP1NR3C1PGRNR3C2AR
SCHEMBL3688817 0.76 NR3C1 (0.59) PARP1NR3C1PGRNR3C2AR
SCHEMBL1493940 0.76 NR3C1 (0.65) PARP1NR3C1PGRNR3C2AR
SCHEMBL6555672 0.76 NR3C1 (0.48) PARP1NR3C1PGRNR3C2AR
SCHEMBL7138992 0.75 TDP1 (0.39) PARP1NR3C1PGRNR3C2PTGS1
SCHEMBL304124 0.75 NR3C1 (0.64) PARP1NR3C1PGRNR3C2AR
SCHEMBL303654 0.75 NR3C1 (0.64) PARP1NR3C1PGRNR3C2AR

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