SCHEMBL1290263

SCHEMBL1290263

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

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 11/20 0.73
SRD5A2 P31213 8/20 0.73
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
INPP5D Q92835 1/20 0.54
FNTA P49354 2/20 0.52
FNTB P49356 2/20 0.52
NPC1L1 Q9UHC9 2/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL8965032 0.85 SRD5A1 (1.00) SRD5A1SRD5A2CYP2D6CYP2C19FNTA
SCHEMBL8965030 0.85 SRD5A1 (1.00) SRD5A1SRD5A2CYP2D6CYP2C19FNTA
SCHEMBL17817402 0.85 SRD5A1 (1.00) SRD5A1SRD5A2CYP2D6CYP2C19FNTA
SCHEMBL9393855 0.84 SRD5A1 (0.52) SRD5A1SRD5A2CYP2D6CYP2C19
SCHEMBL4448191 0.81 SRD5A1 (0.72) SRD5A1SRD5A2CYP2D6CYP2C19INPP5D
SCHEMBL4457359 0.80 SRD5A1 (0.69) SRD5A1SRD5A2CYP2D6CYP2C19INPP5D
SCHEMBL4636872 0.80 SRD5A1 (0.69) SRD5A1SRD5A2CYP2D6CYP2C19INPP5D
SCHEMBL1290265 0.80 SRD5A1 (0.73) SRD5A1SRD5A2CYP2D6CYP2C19INPP5D
SCHEMBL4636223 0.79 SRD5A1 (0.68) SRD5A1SRD5A2CYP2D6CYP2C19INPP5D
SCHEMBL4448192 0.79 SRD5A1 (0.71) SRD5A1SRD5A2CYP2D6CYP2C19INPP5D

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008079898-A1 METHODS AND TOPICAL FORMULATIONS COMPRISING COLLOIDAL METAL FOR TREATING OR PREVENTING SKIN CONDITIONS PHARMWEST, INC. (US) 2008-07-03 WO claimed
EP-0833641-A4 TREATMENT AND PREVENTION OF PROSTATIC DISEASE MERCK & CO INC (US) 2000-04-05 EP claimed
US-5872126-A ENZYME INHIBITORS FOR TREATMENT OF PREMATURE LABOR MERCK & CO., INC. (US) 1999-02-16 US claimed
EP-0833641-A1 TREATMENT AND PREVENTION OF PROSTATIC DISEASE Merck & Co., Inc. (US) 1998-04-08 EP claimed
WO-1998009632-A1 METHODS AND COMPOSITIONS FOR TREATING PRETERM LABOR MERCK & CO., INC. (US) 1998-03-12 WO claimed
EP-0788483-A4 7-SUBSTITUTED 4-AZA CHOLANIC ACID DERIVATIVES AND THEIR USE MERCK & CO INC (US) 1997-12-10 EP claimed
EP-0788483-A1 7-SUBSTITUTED 4-AZA CHOLANIC ACID DERIVATIVES AND THEIR USE Merck & Co., Inc. (US) 1997-08-13 EP claimed
WO-1996040150-A1 TREATMENT AND PREVENTION OF PROSTATIC DISEASE MERCK & CO., INC. (US) 1996-12-19 WO claimed
WO-1996012705-A1 7-SUBSTITUTED 4-AZA CHOLANIC ACID DERIVATIVES AND THEIR USE MERCK & CO., INC. (US) 1996-05-02 WO claimed
EP-2624806-A2 COSMETIC SKIN CARE COMPOSITIONS COMPRISING INSOLUBLE COPPER OXIDE Cupron Inc. (US) 2013-08-14 EP disclosed
WO-2012046229-A2 COSMETIC SKIN CARE COMPOSITIONS CUPRON SCIENTIFIC LTD (IL) 2012-04-12 WO disclosed
WO-2011051948-A2 HAIR CARE COMPOSITIONS AND MATERIALS CUPRON SCIENTIFIC LTD (IL) 2011-05-05 WO disclosed
WO-2008079898-A1 METHODS AND TOPICAL FORMULATIONS COMPRISING COLLOIDAL METAL FOR TREATING OR PREVENTING SKIN CONDITIONS PHARMWEST, INC. (US) 2008-07-03 WO disclosed
EP-1171126-A4 6-AZAINDOLE COMPOUNDS AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2002-03-27 EP disclosed
WO-1999051233-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-10-14 WO disclosed
WO-1998055479-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1998-12-10 WO disclosed
EP-0788483-A4 7-SUBSTITUTED 4-AZA CHOLANIC ACID DERIVATIVES AND THEIR USE MERCK & CO INC (US) 1997-12-10 EP disclosed
EP-0788483-A1 7-SUBSTITUTED 4-AZA CHOLANIC ACID DERIVATIVES AND THEIR USE Merck & Co., Inc. (US) 1997-08-13 EP disclosed
WO-1996012705-A1 7-SUBSTITUTED 4-AZA CHOLANIC ACID DERIVATIVES AND THEIR USE MERCK & CO., INC. (US) 1996-05-02 WO disclosed
WO-1996007643-A1 PROCESS FOR THE STEREOSELECTIVE REDUCTION OF STEROID ENELACTAMS MERCK & CO., INC. (US) 1996-03-14 WO disclosed