SCHEMBL3661927

SCHEMBL3661927

CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.67
LMNA P02545 6/20 0.67
SERPINA6 P08185 6/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
TSHR P16473 4/20 0.67
MAPT P10636 4/20 0.67
MAPK1 P28482 4/20 0.67
ALDH1A1 P00352 4/20 0.67
GPBAR1 Q8TDU6 4/20 0.67
SHBG P04278 4/20 0.67
NR3C1 P04150 3/20 0.67
PGR P06401 3/20 0.67
AR P10275 3/20 0.67
SIGMAR1 Q99720 3/20 0.67
CYP2C9 P11712 2/20 0.67
HIF1A Q16665 2/20 0.67
NR3C2 P08235 2/20 0.67
ABCB11 O95342 2/20 0.67
CYP2C19 P33261 1/20 0.67
KDM4E B2RXH2 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
SCHEMBL3509140 1.00 CYP3A4 (0.67) CYP3A4LMNASERPINA6SMN1; SMN2TSHR
SCHEMBL5436459 1.00 CYP3A4 (0.67) CYP3A4LMNASERPINA6SMN1; SMN2TSHR
SCHEMBL8069 1.00 CYP3A4 (0.67) CYP3A4LMNASERPINA6SMN1; SMN2TSHR
SCHEMBL1457788 1.00 CYP3A4 (0.67) CYP3A4LMNASERPINA6SMN1; SMN2TSHR
SCHEMBL571703 1.00 CYP3A4 (0.67) CYP3A4LMNASERPINA6SMN1; SMN2TSHR
SCHEMBL25333984 1.00 CYP3A4 (0.67) CYP3A4LMNASERPINA6SMN1; SMN2TSHR
SCHEMBL4747200 1.00 CYP3A4 (0.67) CYP3A4LMNASERPINA6SMN1; SMN2TSHR
SCHEMBL2724646 1.00 CYP3A4 (0.67) CYP3A4LMNASERPINA6SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL3198033 0.99 CYP3A4 (0.66) CYP3A4LMNASERPINA6SMN1; SMN2TSHR
Bicarbonate SCHEMBL6684636 0.98 CYP3A4 (0.65) CYP3A4LMNASERPINA6SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0054390-B1 DEHALOGENATION OF STEROIDS THE UPJOHN COMPANY (US) 1984-07-25 EP claimed
EP-3554346-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN IMMUNOSUPPRESSANT Progenity, Inc. (US) 2019-10-23 EP disclosed
WO-2018112255-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN IMMUNOSUPPRESSANT PROGENITY INC. (US) 2018-06-21 WO disclosed
EP-2948152-A2 NOVEL COMPOUNDS OF 11BETA-HYDROXY-STEROIDS FOR USE IN MITOCHONDRIA BIOGENESIS AND DISEASES ASSOCIATED WITH MITOCHONDRIAL DYSFUNCTION OR DEPLETION Sphaera Pharma Pvt. Ltd. (IN) 2015-12-02 EP disclosed
WO-2014115167-A2 NOVEL COMPOUNDS OF 11BETA-HYDROXY-STEROIDS FOR USE IN MITOCHONDRIA BIOGENESIS AND DISEASES ASSOCIATED WITH MITOCHONDRIAL DYSFUNCTION OR DEPLETION SPHAERA PHARMA PVT. LTD. (IN) 2014-07-31 WO disclosed
EP-2142194-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS N.V. Organon (NL) 2010-01-13 EP disclosed
WO-2008119918-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS N.V. ORGANON (NL) 2008-10-09 WO disclosed
WO-2007025064-A2 METHODS OF USING SELECTIVE llβ-HSD INHIBITORS TO TREAT GLUOCORTICOID ASSOCIATED STATES THE MIRIAM HOSPITAL (US) 2007-03-01 WO disclosed
US-5278296-A Production of hydroxysteryl glycoside compounds GELMAN SCIENCES INC. (US) 1994-01-11 US disclosed