SCHEMBL5142424

SCHEMBL5142424

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)C1(C)CC1)C(=O)SCF

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 15/20 0.59
▸ PGR P06401 5/20 0.59
▸ HIF1A Q16665 3/20 0.59
▸ NR1I2 O75469 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ CNR1 P21554 1/20 0.59
▸ HSD17B10 Q99714 2/20 0.51
▸ ABCB11 O95342 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ TNF P01375 1/20 0.51
▸ IL6 P05231 1/20 0.51
▸ SERPINA6 P08185 1/20 0.51
▸ NR3C2 P08235 1/20 0.51
▸ AR P10275 1/20 0.51
▸ GLUL P15104 1/20 0.51
▸ ADAM17 P78536 1/20 0.51
▸ GPBAR1 Q8TDU6 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ ABCC3 O15438 1/20 0.50

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
SCHEMBL14348465 0.91 NR3C1 (0.63) NR3C1PGRHIF1ANR1I2LMNA
SCHEMBL11242937 0.91 NR3C1 (0.63) NR3C1PGRHIF1ANR1I2LMNA
SCHEMBL3982428 0.86 NR3C1 (0.60) NR3C1PGRHIF1ANR1I2LMNA
SCHEMBL13699675 0.83 NR3C1 (0.61) NR3C1PGRHIF1ANR1I2LMNA
SCHEMBL450341 0.83 LMNA (0.47) NR3C1PGRHIF1ANR1I2LMNA
SCHEMBL11238879 0.83 NR3C1 (0.63) NR3C1PGRHIF1ANR1I2LMNA
SCHEMBL4550100 0.83 NR3C1 (0.63) NR3C1PGRHIF1ANR1I2LMNA
SCHEMBL11415042 0.82 NR3C1 (0.69) NR3C1PGRHIF1ANR1I2LMNA
SCHEMBL11415038 0.82 NR3C1 (0.69) NR3C1PGRHIF1ANR1I2LMNA
SCHEMBL11230636 0.81 NR3C1 (0.65) NR3C1PGRHIF1ANR1I2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1922100-A1 AN INHALER GLAXO GROUP LIMITED (GB) 2008-05-21 — — EP disclosed
WO-2007028992-A1 AN INHALER GLAXO GROUP LIMITED (GB) 2007-03-15 — — WO disclosed
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