SCHEMBL6554414

SCHEMBL6554414

CCCc1ccc(OC)c(C(C)(C)CC(O)(C(=O)Nc2ccc3c(c2)COC3=O)C(F)(F)F)c1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGR P06401 19/20 0.79
NR3C1 P04150 18/20 0.79
NR3C2 P08235 9/20 0.64
AR P10275 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL6585107 0.89 NR3C1 (1.00) PGRNR3C1NR3C2AR
SCHEMBL6583624 0.89 NR3C1 (0.84) PGRNR3C1NR3C2AR
SCHEMBL6583567 0.88 NR3C1 (0.83) PGRNR3C1NR3C2AR
SCHEMBL6555539 0.88 PGR (0.85) PGRNR3C1NR3C2AR
SCHEMBL6554140 0.86 NR3C1 (0.81) PGRNR3C1NR3C2AR
SCHEMBL27497818 0.84 NR3C1 (0.87) PGRNR3C1NR3C2AR
SCHEMBL27497504 0.84 PGR (0.76) PGRNR3C1NR3C2AR
SCHEMBL27481702 0.83 PGR (0.75) PGRNR3C1NR3C2AR
SCHEMBL6556337 0.82 NR3C1 (0.85) PGRNR3C1NR3C2ARMAPT
SCHEMBL6583870 0.82 PGR (0.76) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133486-B1 NONSTEROIDAL ANTIINFLAMMATORIES SCHERING AG (DE) 2004-12-22 EP 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
US-6323199-B1 AROMATIC HETEROCYCLIC HYDROXY AMINES OR AMIDES FOR TREATMENT OF INFLAMMATION SCHERING AKTIENGESELLSCHAFT (DE) 2001-11-27 US disclosed