Sugi Predict

Sugi Predict / Compounds / SCHEMBL8326345

SCHEMBL8326345

SCHEMBL8326345

C[C@H]1C[C@H]2OC(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](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
SCHEMBL7993633 1.00 SRD5A1 (0.37) SRD5A1SRD5A2SHBG
SCHEMBL8009557 0.83 SRD5A1 (0.36) SRD5A1SRD5A2SHBG
SCHEMBL8003121 0.83 SRD5A1 (0.37) SRD5A1SRD5A2SHBG
SCHEMBL8325001 0.83 SRD5A1 (0.37) SRD5A1SRD5A2SHBG
SCHEMBL8003971 0.83 SRD5A1 (0.37) SRD5A1SRD5A2SHBG
SCHEMBL8003952 0.83 SRD5A1 (0.37) SRD5A1SRD5A2SHBG
SCHEMBL7997360 0.82 — —
SCHEMBL8002631 0.82 SRD5A1 (0.37) SRD5A1SRD5A2SHBG
SCHEMBL7997362 0.82 — —
SCHEMBL8002628 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 4 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 disclosed
US-5932559-A Treatment of hyperandrogenic conditions MERCK & CO., INC. (US) 1999-08-03 — — US 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