SCHEMBL8059920

SCHEMBL8059920

C[C@]12C=CC(=O)NC1CC[C@@H]1[C@H]2CC[C@]2(C)C(C=O)CC[C@@H]12

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 11/20 0.60
SRD5A2 P31213 9/20 0.60
LMNA P02545 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
ABCC4 O15439 1/20 0.60
ABCB11 O95342 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
CHRM1 P11229 1/20 0.60
HSD3B1 P14060 1/20 0.60
NFKB1 P19838 1/20 0.60
MAPK1 P28482 1/20 0.60
THPO P40225 1/20 0.60
BLM P54132 1/20 0.60

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
SCHEMBL8536922 1.00 SRD5A1 (0.60) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8157337 1.00 SRD5A1 (0.60) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL13848517 1.00 SRD5A1 (0.60) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL5109031 0.84 SRD5A1 (0.64) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL16488278 0.84 SRD5A1 (0.64) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL13495829 0.84 SRD5A1 (0.64) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL25247958 0.83 SRD5A1 (0.62) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL4266160 0.83 SRD5A1 (0.66) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL4266165 0.83 SRD5A1 (0.66) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8536979 0.82 SRD5A1 (0.52) SRD5A1SRD5A2LMNACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007010-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AZASTEROID GLAXO GROUP LIMITED (GB) 2000-06-14 EP claimed
EP-1005346-A2 SOLUTIONS CONTAINING AZASTEROIDS GLAXO GROUP LIMITED (GB) 2000-06-07 EP claimed
WO-1999008684-A2 SOLUTIONS CONTAINING AZASTEROIDS GLAXO GROUP LIMITED (GB) 1999-02-25 WO claimed
WO-1999008666-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AZATEROID GLAXO GROUP LIMITED (GB) 1999-02-25 WO claimed
JP-4288096-A None JP disclosed
US-6046183-A SYNERGISTIC MIXTURE OF FINASTERIDE AND DOXAZOSIN MERCK & CO., INC. (US) 2000-04-04 US disclosed
US-5994362-A ADMINISTERING FINASTERIDE AND CASODEX MERCK & CO., INC. (US) 1999-11-30 US disclosed
US-5760045-A BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. (US) 1998-06-02 US disclosed
US-5753641-A SYNERGISTIC THERAPY COMPRISING FINASTERIDE AND TERAZOSIN DRUGS MERCK & CO., INC. (US) 1998-05-19 US disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
EP-0646007-B1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17$g(b)-SUBSTITUTED-4-AZA-5$g(a)-ANDROSTAN-3-ONES AS 5$g(a)-REDUCTASE INHIBITORS MERCK & CO INC (US) 1997-08-13 EP disclosed
US-5510351-A PREGNANE ENZYME INHIBITOR FOR TREATING SKIN DISORDER, BALDNESS, PROSTATIC CANCER MERCK & CO., INC. (US) 1996-04-23 US disclosed
JP-H04288096-A NEW PRODUCTION METHOD OF 3-OXO-4-AZA-ANDROST-1-ENE 17 BETA-KETONE MERCK & CO INC 1992-10-13 JP disclosed
EP-0478066-A2 New process for making 3-oxo-4-aza-androst-1-ene 17beta-ketones MERCK & CO. INC. (US) 1992-04-01 EP disclosed
EP-0478066-A2 New process for making 3-oxo-4-aza-androst-1-ene 17beta-ketones MERCK & CO. INC. (US) 1992-04-01 EP disclosed
EP-0478065-A2 New intermediate for making 3-oxo-4-aza-androst-1-ene 17beta-ketones MERCK & CO. INC. (US) 1992-04-01 EP disclosed
EP-0478065-A2 New intermediate for making 3-oxo-4-aza-androst-1-ene 17beta-ketones MERCK & CO. INC. (US) 1992-04-01 EP disclosed
EP-0462661-A2 Novel 17beta-hydroxybenzoyl-4-aza-5alpha-androst-1-en-3-ones as testosterone reductase inhibitors MERCK & CO. INC. (US) 1991-12-27 EP disclosed
US-5061801-A Intermediate for making 3-oxo-4-aza-androst-1-ene 17β-ketones MERCK & CO., INC. (US) 1991-10-29 US disclosed
US-5061801-A Intermediate for making 3-oxo-4-aza-androst-1-ene 17β-ketones MERCK & CO., INC. (US) 1991-10-29 US disclosed