SCHEMBL5244072

SCHEMBL5244072

C[C@]12CC[C@H]3[C@@H](CC=C4NC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(N)=O

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.57
SRD5A2 P31213 7/20 0.48
LMNA P02545 2/20 0.47
CYP17A1 P05093 1/20 0.47
SHBG P04278 1/20 0.47
SERPINA6 P08185 1/20 0.47
G6PD P11413 1/20 0.47

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
SCHEMBL5244078 1.00 SRD5A1 (0.57) SRD5A1SRD5A2LMNACYP17A1SHBG
SCHEMBL12090681 0.90 SRD5A1 (0.58) SRD5A1SRD5A2LMNASHBGSERPINA6
SCHEMBL14533101 0.90 SRD5A1 (0.58) SRD5A1SRD5A2LMNASHBGSERPINA6
SCHEMBL14214563 0.90 SRD5A1 (0.58) SRD5A1SRD5A2LMNASHBGSERPINA6
SCHEMBL14477860 0.90 LMNA (0.59) SRD5A1SRD5A2LMNASHBGSERPINA6
SCHEMBL14185033 0.90 SRD5A1 (0.58) SRD5A1SRD5A2LMNASHBGSERPINA6
SCHEMBL12423999 0.90 SRD5A1 (0.58) SRD5A1SRD5A2LMNASHBGSERPINA6
SCHEMBL14359473 0.90 LMNA (0.59) SRD5A1SRD5A2LMNASHBGSERPINA6
SCHEMBL4421313 0.90 SRD5A1 (0.58) SRD5A1SRD5A2LMNASHBGSERPINA6
SCHEMBL13603460 0.90 SRD5A1 (0.58) SRD5A1SRD5A2LMNASHBGSERPINA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102746368-A Synthesis method of dutasteride intermediate WANG LUCHENG 2012-10-24 CN disclosed
EP-1420796-A4 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2007-07-11 EP disclosed
EP-1420796-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2004-05-26 EP disclosed
US-6645974-B2 Administering an androstamide compound; osteoporosis, anticancer agents, glandular disorders MERCK & CO., INC. 2003-11-11 US disclosed
WO-2003011302-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2003-02-13 WO disclosed