SCHEMBL4702637

SCHEMBL4702637

C=CCSCC1=CC(C)(C)Nc2c1cccc2-c1ccccc1OCC

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 15/20 0.55
▸ PGR P06401 9/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TSHR P16473 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
SCHEMBL4704371 0.89 NR3C1 (0.68) NR3C1PGR
SCHEMBL4705725 0.83 PGR (0.53) NR3C1PGRL3MBTL1ALDH1A1
SCHEMBL4706695 0.83 NR3C1 (0.60) NR3C1PGR
SCHEMBL4703420 0.83 NR3C1 (0.62) NR3C1PGR
SCHEMBL4704783 0.82 NR3C1 (0.60) NR3C1PGRALDH1A1GAA
SCHEMBL4706194 0.82 PGR (0.55) NR3C1PGR
SCHEMBL4703462 0.82 PGR (0.67) NR3C1PGR
SCHEMBL4702992 0.82 PGR (0.57) NR3C1PGR
SCHEMBL4702632 0.82 NR3C1 (0.82) NR3C1PGR
SCHEMBL4702900 0.80 NR3C1 (0.69) 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
EP-1532113-B1 SUBSTITUTED HIHYDROQUINOLINES AS GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMA (US) 2008-08-06 — — EP claimed
Send feedback