SCHEMBL4885223

SCHEMBL4885223

CC(=O)OC#C[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@@H]4[C@H]3CC[C@]12C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 4/20 0.63
▸ PDK2 Q15119 4/20 0.63
▸ PDK3 Q15120 4/20 0.63
▸ PDK4 Q16654 4/20 0.63
▸ PGR P06401 3/20 0.52
▸ NR1I2 O75469 2/20 0.52
▸ NR3C1 P04150 2/20 0.52
▸ ADORA3 P0DMS8 2/20 0.52
▸ SLC6A2 P23975 2/20 0.52
▸ AGTR1 P30556 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ PDE4D Q08499 1/20 0.52
▸ SERPINA6 P08185 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ SLC22A1 O15245 1/20 0.47
▸ SHBG P04278 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ MAPT P10636 4/20 0.42

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
SCHEMBL8467502 0.86 PGR (0.56) PDK1PDK2PDK3PDK4PGR
SCHEMBL6841786 0.78 PDK1 (1.00) PDK1PDK2PDK3PDK4PGR
SCHEMBL29370141 0.72 PGR (0.78) PDK1PDK2PDK3PDK4PGR
SCHEMBL8530266 0.72 PGR (0.78) PDK1PDK2PDK3PDK4PGR
SCHEMBL9523036 0.72 PGR (0.78) PDK1PDK2PDK3PDK4PGR
SCHEMBL3677252 0.71 PGR (0.59) PDK1PDK2PDK3PDK4PGR
SCHEMBL5173779 0.70 NR1I2 (0.62) PDK1PDK2PDK3PDK4PGR
SCHEMBL5173777 0.70 NR1I2 (0.62) PDK1PDK2PDK3PDK4PGR
SCHEMBL5200586 0.69 PDK1 (0.56) PDK1PDK2PDK3PDK4PGR
SCHEMBL9541216 0.69 PDK1 (0.74) PDK1PDK2PDK3PDK4PGR

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
US-20040043943-A1 Method for the management of incontinence ALZA CORPORATION 2004-03-04 — — US claimed
US-20040037881-A1 Method for the management of incontinence ALZA CORPORATION 2004-02-26 — — US claimed
US-6262115-B1 ADMITTING ORALLY INTO THE PATIENT A DOSAGE FORM OF OXYBUTYNIN AND ITS PHARMACEUTICALLY ACCEPTABLE SALT, THAT IS ADMINISTERED ONCE-A-DAY AS SUSTAINED-RELEASE FORM FOR MANAGEMENT OF INCONTINENCE ALZA COPORATION 2001-07-17 — — US claimed
US-20080021102-A1 Method for the Management of Incontinence ALZA CORPORATION (US) 2008-01-24 — — US disclosed
US-6919092-B2 Method for the management of incontinence ALZA CORPORATION (US) 2005-07-19 — — US disclosed
US-20040043943-A1 Method for the management of incontinence ALZA CORPORATION 2004-03-04 — — US disclosed
US-20040037881-A1 Method for the management of incontinence ALZA CORPORATION 2004-02-26 — — US disclosed
US-6262115-B1 ADMITTING ORALLY INTO THE PATIENT A DOSAGE FORM OF OXYBUTYNIN AND ITS PHARMACEUTICALLY ACCEPTABLE SALT, THAT IS ADMINISTERED ONCE-A-DAY AS SUSTAINED-RELEASE FORM FOR MANAGEMENT OF INCONTINENCE ALZA COPORATION 2001-07-17 — — US disclosed
US-20010005728-A1 Method for the management of incontinence ALZA CORPORATION 2001-06-28 — — US disclosed
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