SCHEMBL3928985

SCHEMBL3928985

CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=CC4=CC(=O)C5CC5[C@@]4(C)[C@@H]3[C@@H](O)C[C@@]21C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 10/20 0.52
▸ NR3C1 P04150 6/20 0.52
▸ PGR P06401 6/20 0.52
▸ DRD1 P21728 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ PDE3A Q14432 1/20 0.52
▸ HIF1A Q16665 6/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ LMNA P02545 3/20 0.46
▸ NR1I2 O75469 3/20 0.40
▸ MLNR O43193 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ AR P10275 3/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL11647954 0.89 CYP3A4 (0.52) CYP3A4NR3C1PGRDRD1OPRK1
SCHEMBL11325440 0.85 PGR (0.55) CYP3A4NR3C1PGRDRD1OPRK1
SCHEMBL11795827 0.85 NR3C1 (0.65) CYP3A4NR3C1PGRDRD1OPRK1
SCHEMBL6061364 0.85 NR3C1 (0.65) CYP3A4NR3C1PGRDRD1OPRK1
SCHEMBL5596318 0.85 NR3C1 (0.65) CYP3A4NR3C1PGRDRD1OPRK1
SCHEMBL9171213 0.85 NR3C1 (0.65) CYP3A4NR3C1PGRDRD1OPRK1
SCHEMBL8973527 0.85 NR3C1 (0.65) CYP3A4NR3C1PGRDRD1OPRK1
SCHEMBL3930867 0.84 PGR (0.44) CYP3A4NR3C1PGRDRD1OPRK1
SCHEMBL3931592 0.79 HIF1A (0.64) CYP3A4NR3C1PGRHIF1ACYP2C9
SCHEMBL3931596 0.79 HIF1A (0.64) CYP3A4NR3C1PGRHIF1ACYP2C9

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-1976997-B1 PROCESS FOR THE PREPARATION OF 11BETA-HYDR0XY-9BETA,10ALPHA-STEROIDS EMPLOYING AMYCOLATOPSIS MEDITERRANEI CELLS SOLVAY PHARM GMBH (DE) 2009-04-08 — — EP claimed
US-20070212751-A1 Microbial method for the 11beta hydroxylation of 9beta, 10alpha-steriods SOLVAY PHARMACEUTICALS GMBH (DE) 2007-09-13 — — US claimed
EP-1976997-B1 PROCESS FOR THE PREPARATION OF 11BETA-HYDR0XY-9BETA,10ALPHA-STEROIDS EMPLOYING AMYCOLATOPSIS MEDITERRANEI CELLS SOLVAY PHARM GMBH (DE) 2009-04-08 — — EP disclosed
US-20070212751-A1 Microbial method for the 11beta hydroxylation of 9beta, 10alpha-steriods SOLVAY PHARMACEUTICALS GMBH (DE) 2007-09-13 — — US disclosed
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