SCHEMBL13656755

SCHEMBL13656755

C#C[C@]1(O)CC[C@H]2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.62
HSD17B7 P56937 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
SCHEMBL4268271 1.00 SHBG (0.62) SHBGHSD17B7
SCHEMBL4268268 1.00 SHBG (0.62) SHBGHSD17B7
SCHEMBL9214878 0.89 HSD17B7 (0.58) HSD17B7
SCHEMBL9214886 0.89 HSD17B7 (0.58) HSD17B7
SCHEMBL8077567 0.85 HSD17B7 (0.54) HSD17B7
SCHEMBL4265826 0.84 HSD17B7 (0.64) SHBGHSD17B7
SCHEMBL4265828 0.84 HSD17B7 (0.64) SHBGHSD17B7
SCHEMBL13656756 0.84 HSD17B7 (0.64) SHBGHSD17B7
SCHEMBL6692574 0.84 HSD17B7 (0.53) HSD17B7
SCHEMBL4264788 0.83 HSD17B7 (0.59) HSD17B7

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