SCHEMBL4635874

SCHEMBL4635874

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4NC(=O)CC(CC(=O)O)[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 6/20 0.65
SRD5A2 P31213 5/20 0.65
FNTA P49354 5/20 0.55
FNTB P49356 5/20 0.55
CDC25A P30304 7/20 0.52
POLA1 P09884 1/20 0.51
NPC1L1 Q9UHC9 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL4636223 0.90 SRD5A1 (0.68) SRD5A1SRD5A2FNTAFNTBCDC25A
SCHEMBL4457359 0.89 SRD5A1 (0.69) SRD5A1SRD5A2FNTAFNTBNPC1L1
SCHEMBL4636872 0.89 SRD5A1 (0.69) SRD5A1SRD5A2FNTAFNTBNPC1L1
SCHEMBL4448191 0.85 SRD5A1 (0.72) SRD5A1SRD5A2FNTAFNTBNPC1L1
SCHEMBL4635876 0.80 SRD5A1 (0.65) SRD5A1SRD5A2FNTAFNTBCDC25A
SCHEMBL8965030 0.79 SRD5A1 (1.00) SRD5A1SRD5A2FNTAFNTB
SCHEMBL8965032 0.79 SRD5A1 (1.00) SRD5A1SRD5A2FNTAFNTB
SCHEMBL17817402 0.79 SRD5A1 (1.00) SRD5A1SRD5A2FNTAFNTB
SCHEMBL8417553 0.78 FNTA (0.66) SRD5A1SRD5A2FNTAFNTBCDC25A
SCHEMBL1290263 0.77 SRD5A1 (0.73) SRD5A1SRD5A2FNTAFNTBNPC1L1

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-1734963-A4 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS MERCK & CO INC (US) 2008-06-18 EP disclosed
EP-1734963-A2 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS Merck & Co., Inc. (US) 2006-12-27 EP disclosed
WO-2005097127-A2 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS MERCK & CO., INC. (US) 2005-10-20 WO disclosed