SCHEMBL4702888

SCHEMBL4702888

COc1cccc(-c2cccc3c2NC(C)(C)C=C3CSCCc2ccccc2)c1OC

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 15/20 0.62
▸ PGR P06401 8/20 0.51
▸ ABCB1 P08183 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL4704793 0.93 NR3C1 (0.68) NR3C1PGR
SCHEMBL4704996 0.86 NR3C1 (0.71) NR3C1PGR
SCHEMBL4703050 0.85 NR3C1 (0.61) NR3C1PGR
SCHEMBL4705781 0.84 NR3C1 (0.68) NR3C1PGR
SCHEMBL4705889 0.84 PGR (0.67) NR3C1PGR
SCHEMBL4702885 0.83 NR3C1 (0.85) NR3C1PGR
SCHEMBL4702567 0.82 NR3C1 (0.58) NR3C1PGR
SCHEMBL4706431 0.82 NR3C1 (0.54) NR3C1PGR
SCHEMBL4706734 0.82 NR3C1 (0.60) NR3C1PGR
SCHEMBL4706695 0.82 NR3C1 (0.60) 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
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