SCHEMBL4705889

SCHEMBL4705889

COc1ccccc1-c1cccc2c1NC(C)(C)C=C2CSCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.67
▸ NR3C1 P04150 15/20 0.56
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ EGFR P00533 1/20 0.38

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
SCHEMBL4705877 0.92 PGR (0.58) PGRNR3C1
SCHEMBL4704987 0.91 PGR (0.57) PGRNR3C1
SCHEMBL4704793 0.91 NR3C1 (0.68) PGRNR3C1
SCHEMBL4702754 0.87 PGR (0.52) PGRNR3C1
SCHEMBL4702720 0.86 NR3C1 (0.67) PGRNR3C1
SCHEMBL4704371 0.84 NR3C1 (0.68) PGRNR3C1
SCHEMBL4702719 0.84 PGR (0.55) PGRNR3C1L3MBTL1
SCHEMBL4702888 0.84 NR3C1 (0.62) PGRNR3C1
SCHEMBL4702889 0.83 NR3C1 (0.68) PGRNR3C1
SCHEMBL4702496 0.83 NR3C1 (0.70) PGRNR3C1

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
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