SCHEMBL8003952

SCHEMBL8003952

CC1CC2SC(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(Oc4ncccn4)CC[C@H]3[C@H]12

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.37
SRD5A2 P31213 2/20 0.37
SHBG P04278 2/20 0.32

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
SCHEMBL8325001 1.00 SRD5A1 (0.37) SRD5A1SRD5A2SHBG
SCHEMBL8003413 0.83 SRD5A1 (0.36) SRD5A1SRD5A2SHBG
SCHEMBL7993633 0.83 SRD5A1 (0.37) SRD5A1SRD5A2SHBG
SCHEMBL8326345 0.83 SRD5A1 (0.37) SRD5A1SRD5A2SHBG
SCHEMBL8318971 0.83 SRD5A1 (0.37) SRD5A1SRD5A2SHBG
SCHEMBL8003990 0.83 SRD5A1 (0.37) SRD5A1SRD5A2SHBG
SCHEMBL8003681 0.82
SCHEMBL8322097 0.82
SCHEMBL8003658 0.82 SRD5A1 (0.37) SRD5A1SRD5A2SHBG
SCHEMBL8003663 0.82 SRD5A1 (0.37) SRD5A1SRD5A2SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998464-A 4-Oxa and 4-thia steroids MERCK & CO., INC. (US) 1999-12-07 US claimed
EP-0858455-A4 4-OXA AND 4-THIA STEROIDS MERCK & CO INC (US) 2000-04-12 EP disclosed
US-5998464-A 4-Oxa and 4-thia steroids MERCK & CO., INC. (US) 1999-12-07 US disclosed
US-5932559-A Treatment of hyperandrogenic conditions MERCK & CO., INC. (US) 1999-08-03 US disclosed
EP-0858455-A1 4-OXA AND 4-THIA STEROIDS Merck & Co., Inc. (US) 1998-08-19 EP disclosed
US-5777134-A 4-oxa and 4-thia steriods MERCK & CO., INC. (US) 1998-07-07 US disclosed
US-5756480-A Treatment of hyperandrogenic conditions MERCK & CO., INC. (US) 1998-05-26 US disclosed
WO-1997015305-A1 TREATMENT OF HYPERANDROGENIC CONDITIONS MERCK & CO., INC. (US) 1997-05-01 WO disclosed
WO-1997015564-A1 4-OXA AND 4-THIA STEROIDS MERCK & CO., INC. (US) 1997-05-01 WO disclosed