SCHEMBL4704781

SCHEMBL4704781

C=CCSCC1=CC(C)(C)Nc2ccc(-c3cccc(OCC)c3)cc21

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 16/20 0.82
▸ PGR P06401 11/20 0.82
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL4702979 0.90 NR3C1 (1.00) NR3C1PGR
SCHEMBL4702989 0.85 NR3C1 (0.77) NR3C1PGR
SCHEMBL4704783 0.85 NR3C1 (0.60) NR3C1PGRKDM4EMEN1ALDH1A1
SCHEMBL4702632 0.84 NR3C1 (0.82) NR3C1PGR
SCHEMBL14099411 0.83 NR3C1 (0.71) NR3C1PGR
SCHEMBL4704697 0.83 NR3C1 (0.83) NR3C1PGR
SCHEMBL4706193 0.81 PGR (0.80) NR3C1PGR
SCHEMBL4703418 0.80 NR3C1 (0.81) NR3C1PGR
SCHEMBL4704354 0.80 NR3C1 (0.78) NR3C1PGR
SCHEMBL4704794 0.79 PGR (0.79) 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 10 patents. 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
EP-1532113-A2 SUBSTITUTED HIHYDROQUINOLINES AS GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-05-25 — — EP claimed
US-6858627-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-22 — — US claimed
US-20040116455-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-06-17 — — US claimed
WO-2004018429-A2 SUBSTITUTED HIHYDROQUINOLINES AS GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-03-04 — — WO claimed
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 disclosed
EP-1532113-A2 SUBSTITUTED HIHYDROQUINOLINES AS GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-05-25 — — EP disclosed
US-6858627-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-22 — — US disclosed
US-20040116455-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-06-17 — — US disclosed
WO-2004018429-A2 SUBSTITUTED HIHYDROQUINOLINES AS GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-03-04 — — WO disclosed
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