SCHEMBL13656756

SCHEMBL13656756

CN1C(=O)CC[C@]2(C)C3CC[C@@]4(C)[C@@H](CC[C@]4(C)O)C3CC[C@@H]12

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD17B7 P56937 1/20 0.64
SHBG P04278 1/20 0.58
POLB P06746 1/20 0.58
MAPK1 P28482 1/20 0.58

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
SCHEMBL4265828 1.00 HSD17B7 (0.64) HSD17B7SHBGPOLBMAPK1
SCHEMBL4265826 1.00 HSD17B7 (0.64) HSD17B7SHBGPOLBMAPK1
SCHEMBL5069378 0.88 HSD17B7 (0.61) HSD17B7
SCHEMBL4264788 0.85 HSD17B7 (0.59) HSD17B7
SCHEMBL4264792 0.85 HSD17B7 (0.59) HSD17B7
SCHEMBL13656754 0.85 HSD17B7 (0.59) HSD17B7
SCHEMBL13656755 0.84 SHBG (0.62) HSD17B7SHBG
SCHEMBL4268271 0.84 SHBG (0.62) HSD17B7SHBG
SCHEMBL9214886 0.84 HSD17B7 (0.58) HSD17B7
SCHEMBL4268268 0.84 SHBG (0.62) HSD17B7SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605152-B2 17-hydroxy-4-aza-androstan-3-ones as androgen receptor modulators MERCK & CO., INC. (US) 2009-10-20 US disclosed
US-7605152-B2 17-hydroxy-4-aza-androstan-3-ones as androgen receptor modulators MERCK & CO., INC. (US) 2009-10-20 US disclosed