SCHEMBL6320917

SCHEMBL6320917

COC1(F)C=CC=CC1C(C)(C)CC(O)(CNc1cccc2nc(COC(C)=O)ccc12)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 11/20 0.45
PGR P06401 2/20 0.39
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL3651860 0.75 NR3C1 (0.75) NR3C1PGR
SCHEMBL6320923 0.75 NR3C1 (0.68) NR3C1PGR
SCHEMBL6320920 0.75 NR3C1 (0.54) NR3C1PGR
SCHEMBL6314570 0.66 NR3C1 (0.53) NR3C1PGRALDH1A1
SCHEMBL4827164 0.63 NR3C1 (0.82) NR3C1PGR
SCHEMBL3652420 0.63 NR3C1 (0.82) NR3C1PGR
SCHEMBL3650311 0.63 NR3C1 (0.71) NR3C1PGR
SCHEMBL4818153 0.62 NR3C1 (0.76) NR3C1PGR
SCHEMBL3651593 0.62 NR3C1 (1.00) NR3C1PGR
SCHEMBL4825644 0.62 NR3C1 (0.80) NR3C1PGR

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-6897224-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2005-05-24 US disclosed