SCHEMBL5218487

SCHEMBL5218487

CN1C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@@H]3CC[C@H](C(=O)O)[C@@]3(C)CC[C@@H]12

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.64
SRD5A2 P31213 4/20 0.49
CYP2C19 P33261 1/20 0.48
LMNA P02545 2/20 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
SCHEMBL11416876 1.00 SRD5A1 (0.64) SRD5A1SRD5A2CYP2C19LMNASHBG
SCHEMBL9022075 1.00 SRD5A1 (0.64) SRD5A1SRD5A2CYP2C19LMNASHBG
SCHEMBL9022079 1.00 SRD5A1 (0.64) SRD5A1SRD5A2CYP2C19LMNASHBG
SCHEMBL29059721 0.91 SRD5A1 (0.64) SRD5A1CYP2C19LMNASHBGSERPINA6
SCHEMBL14184971 0.89 SRD5A1 (0.61) SRD5A1SRD5A2
SCHEMBL4012146 0.89 SRD5A1 (0.61) SRD5A1SRD5A2
SCHEMBL14214561 0.89 SRD5A1 (0.61) SRD5A1SRD5A2
SCHEMBL4012144 0.89 SRD5A1 (0.61) SRD5A1SRD5A2
SCHEMBL14359403 0.88 SRD5A1 (0.50) SRD5A1SRD5A2CYP2C19LMNASHBG
SCHEMBL5215184 0.87 SRD5A1 (0.49) SRD5A1SRD5A2CYP2C19LMNASHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2003011302-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2003-02-13 WO disclosed