SCHEMBL7794907

SCHEMBL7794907

C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)CBr)[C@@]2(C)C=CC(=O)C=C12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.62
NR3C1 P04150 5/20 0.62
HSD17B10 Q99714 5/20 0.62
HIF1A Q16665 4/20 0.62
PGR P06401 3/20 0.62
ALDH1A1 P00352 2/20 0.62
ABCC4 O15439 1/20 0.62
NR1I2 O75469 1/20 0.62
ABCB11 O95342 1/20 0.62
PDE4D Q08499 1/20 0.62
CYP19A1 P11511 6/20 0.60
F2 P00734 1/20 0.57
AR P10275 1/20 0.57
MEN1 O00255 2/20 0.52
LMNA P02545 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.52
CYP2C19 P33261 1/20 0.52
SLC29A1 Q99808 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL8331404 1.00 CYP3A4 (0.62) CYP3A4NR3C1HSD17B10HIF1APGR
SCHEMBL6343098 0.87 HIF1A (0.64) CYP3A4NR3C1HSD17B10HIF1APGR
SCHEMBL6563217 0.87 HIF1A (0.64) CYP3A4NR3C1HSD17B10HIF1APGR
SCHEMBL7796323 0.86 CYP3A4 (0.76) CYP3A4NR3C1HSD17B10HIF1APGR
SCHEMBL18351253 0.86 CYP3A4 (0.76) CYP3A4NR3C1HSD17B10HIF1APGR
SCHEMBL7796325 0.86 CYP3A4 (0.76) CYP3A4NR3C1HSD17B10HIF1APGR
SCHEMBL10602893 0.81 LMNA (0.69) CYP3A4NR3C1HSD17B10HIF1APGR
SCHEMBL13768207 0.79 PGR (0.53) CYP3A4NR3C1HSD17B10HIF1APGR
SCHEMBL13787664 0.79 NR3C1 (0.55) CYP3A4NR3C1HSD17B10HIF1APGR
SCHEMBL20709748 0.79 PGR (0.63) CYP3A4NR3C1HSD17B10HIF1APGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0941361-B1 A METHOD FOR THE PREPARATION OF STEROID COMPOUNDS DURAMED EUROP LTD (GB) 2001-11-28 EP disclosed
EP-0941361-A1 A METHOD FOR THE PREPARATION OF STEROID COMPOUNDS Duramed Europe Limited (GB) 1999-09-15 EP disclosed
WO-1998020151-A9 A METHOD FOR THE PREPARATION OF STEROID COMPOUNDS DURAMED EUROP LIMITED (GB) 1999-06-17 WO disclosed
WO-1998020151-A1 A METHOD FOR THE PREPARATION OF STEROID COMPOUNDS DURAMED EUROPE LIMITED (GB) 1998-05-14 WO disclosed