SCHEMBL3933487

SCHEMBL3933487

CC[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@]43C)[C@@H]1CCC2=O

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 18/20 0.76
ALDH1A1 P00352 2/20 0.74
LMNA P02545 2/20 0.74
SHBG P04278 2/20 0.74
SERPINA6 P08185 2/20 0.74
MAPK1 P28482 2/20 0.74
HSD17B3 P37058 2/20 0.74
SNCA P37840 2/20 0.74
BLM P54132 2/20 0.74
PMP22 Q01453 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
NPSR1 Q6W5P4 2/20 0.74
HSD17B10 Q99714 2/20 0.74
TSHR P16473 1/20 0.74
OR51E2 Q9H255 1/20 0.67

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
SCHEMBL11783337 1.00 CYP19A1 (0.76) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL14933679 1.00 CYP19A1 (0.76) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL3933491 1.00 CYP19A1 (0.76) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL4004567 0.90 CYP19A1 (0.78) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL4636606 0.89 CYP19A1 (0.77) CYP19A1ALDH1A1LMNASHBGSERPINA6
Fluoride SCHEMBL27614226 0.89 CYP19A1 (0.77) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL27824503 0.89 CYP19A1 (0.73) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL3934602 0.87 CYP19A1 (0.65) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL3932821 0.87 CYP19A1 (0.65) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL10589991 0.87 CYP19A1 (0.78) CYP19A1ALDH1A1LMNASHBGSERPINA6

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 disclosed
EP-1976997-A1 PROCESS FOR THE PREPARATION OF 11BETA-HYDR0XY-9BETA, 10ALPHA -STEROIDS EMPLOYING AMYCOLATOPSIS MEDITERRANEI CELLS Solvay Pharmaceuticals GmbH (DE) 2008-10-08 EP disclosed
US-20070212751-A1 Microbial method for the 11beta hydroxylation of 9beta, 10alpha-steriods SOLVAY PHARMACEUTICALS GMBH (DE) 2007-09-13 US disclosed
WO-2007082891-A1 PROCESS FOR THE PREPARATION OF 11BETA-HYDR0XY-9BETA, 10ALPHA -STEROIDS EMPLOYING AMYCOLATOPSIS MEDITERRANEI CELLS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-07-26 WO disclosed