Sugi Predict

Sugi Predict / Compounds / SCHEMBL8003413

SCHEMBL8003413

SCHEMBL8003413

Cc1ccccc1O[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C[C@H]4SC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 5/20 0.36
▸ SRD5A2 P31213 2/20 0.36
▸ SHBG P04278 2/20 0.31

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
SCHEMBL8318971 0.85 SRD5A1 (0.37) SRD5A1SRD5A2SHBG
SCHEMBL8009557 0.84 SRD5A1 (0.36) SRD5A1SRD5A2SHBG
SCHEMBL8325001 0.83 SRD5A1 (0.37) SRD5A1SRD5A2SHBG
SCHEMBL8003658 0.83 SRD5A1 (0.37) SRD5A1SRD5A2SHBG
SCHEMBL8008926 0.80 SRD5A1 (0.35) SRD5A1SRD5A2SHBG
SCHEMBL7994159 0.76 SRD5A1 (0.49) SRD5A1SRD5A2SHBG
SCHEMBL7993711 0.74 SRD5A1 (0.47) SRD5A1SRD5A2SHBG
SCHEMBL8316920 0.74 SRD5A1 (0.47) SRD5A1SRD5A2SHBG
SCHEMBL8003611 0.70 SRD5A1 (0.36) SRD5A1SRD5A2
SCHEMBL8008939 0.70 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858455-A4 4-OXA AND 4-THIA STEROIDS MERCK & CO INC (US) 2000-04-12 — — EP claimed
US-5998464-A 4-Oxa and 4-thia steroids MERCK & CO., INC. (US) 1999-12-07 — — US claimed
EP-0858455-A1 4-OXA AND 4-THIA STEROIDS Merck & Co., Inc. (US) 1998-08-19 — — EP claimed
WO-1997015564-A1 4-OXA AND 4-THIA STEROIDS MERCK & CO., INC. (US) 1997-05-01 — — WO claimed
US-5998464-A 4-Oxa and 4-thia steroids MERCK & CO., INC. (US) 1999-12-07 — — US disclosed