SCHEMBL6291115

SCHEMBL6291115

CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1)Oc1cccc(-c2ccccc2)c1-3

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 16/20 0.78
▸ NR3C1 P04150 14/20 0.78
▸ AR P10275 10/20 0.78
▸ NR3C2 P08235 9/20 0.78
▸ ESR1 P03372 6/20 0.78
▸ ESR2 Q92731 6/20 0.78

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
SCHEMBL6290327 0.89 PGR (0.78) PGRNR3C1ARNR3C2ESR1
SCHEMBL6294953 0.88 NR3C1 (0.80) PGRNR3C1ARNR3C2ESR1
SCHEMBL6291126 0.88 NR3C1 (0.75) PGRNR3C1ARNR3C2ESR1
SCHEMBL6291144 0.87 NR3C1 (0.74) PGRNR3C1ARNR3C2ESR1
SCHEMBL4171493 0.86 NR3C1 (1.00) PGRNR3C1ARNR3C2ESR1
SCHEMBL6291168 0.86 NR3C1 (0.72) PGRNR3C1ARNR3C2ESR1
Acetic Acid SCHEMBL6291027 0.85 NR3C1 (0.74) PGRNR3C1ARNR3C2ESR1
SCHEMBL6998522 0.85 NR3C1 (0.74) PGRNR3C1ARNR3C2ESR1
SCHEMBL6291062 0.85 NR3C1 (0.71) PGRNR3C1ARNR3C2ESR1
SCHEMBL6294880 0.85 NR3C1 (0.71) PGRNR3C1ARNR3C2ESR1

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
US-6951942-B2 Glucocorticoid-selective anti-inflammatory agents ABBOTT LABORATORIES (US) 2005-10-04 — — US disclosed
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