SCHEMBL6998522

SCHEMBL6998522

CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1)Oc1cccc(C(=O)O)c1-3

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 16/20 0.74
▸ NR3C2 P08235 10/20 0.74
▸ AR P10275 10/20 0.74
▸ PGR P06401 14/20 0.71
▸ ESR1 P03372 5/20 0.71
▸ ESR2 Q92731 5/20 0.71

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
SCHEMBL6294998 0.91 NR3C1 (0.75) NR3C1NR3C2ARPGRESR1
Acetic Acid SCHEMBL6291027 0.88 NR3C1 (0.74) NR3C1NR3C2ARPGRESR1
SCHEMBL6294953 0.88 NR3C1 (0.80) NR3C1NR3C2ARPGRESR1
SCHEMBL6290327 0.87 PGR (0.78) NR3C1NR3C2ARPGRESR1
SCHEMBL6291028 0.86 NR3C1 (0.79) NR3C1NR3C2ARPGRESR1
SCHEMBL6291168 0.85 NR3C1 (0.72) NR3C1NR3C2ARPGRESR1
SCHEMBL4171493 0.85 NR3C1 (1.00) NR3C1NR3C2ARPGRESR1
SCHEMBL6291115 0.85 PGR (0.78) NR3C1NR3C2ARPGRESR1
SCHEMBL6291126 0.85 NR3C1 (0.75) NR3C1NR3C2ARPGRESR1
SCHEMBL6291062 0.84 NR3C1 (0.71) NR3C1NR3C2ARPGRESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053239-B1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LAB (US) 2003-01-08 — — EP claimed
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