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SCHEMBL8577505

SCHEMBL8577505

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C)C[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 17/20 1.00
▸ SRD5A1 P18405 17/20 1.00
▸ FNTA P49354 1/20 0.54
▸ FNTB P49356 1/20 0.54

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
SCHEMBL8578390 1.00 SRD5A2 (1.00) SRD5A2SRD5A1FNTAFNTB
SCHEMBL916346 1.00 SRD5A2 (1.00) SRD5A2SRD5A1FNTAFNTB
SCHEMBL916345 1.00 SRD5A2 (1.00) SRD5A2SRD5A1FNTAFNTB
SCHEMBL7384483 0.90 SRD5A2 (0.81) SRD5A2SRD5A1FNTAFNTB
SCHEMBL7384487 0.90 SRD5A2 (0.81) SRD5A2SRD5A1FNTAFNTB
SCHEMBL917095 0.88 SRD5A2 (1.00) SRD5A2SRD5A1FNTAFNTB
SCHEMBL918268 0.88 SRD5A1 (0.86) SRD5A2SRD5A1
SCHEMBL8931520 0.88 SRD5A1 (0.86) SRD5A2SRD5A1
SCHEMBL918267 0.88 SRD5A1 (0.86) SRD5A2SRD5A1
SCHEMBL8931551 0.88 SRD5A2 (1.00) SRD5A2SRD5A1FNTAFNTB

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-5817802-A IN IONIZING MEDIUM WITH A TRIALKYLSILANE MERCK & CO., INC. (US) 1998-10-06 — — US disclosed
US-5696266-A HYDROGENATING DELTA-5-STEROIDAL ENELACTAM DISSOLVED IN SOLVENT IN PRESENCE OF RHODIUM CATALYST MERCK & CO., INC. (US) 1997-12-09 — — US disclosed
WO-1996007643-A1 PROCESS FOR THE STEREOSELECTIVE REDUCTION OF STEROID ENELACTAMS MERCK & CO., INC. (US) 1996-03-14 — — WO disclosed
US-5470976-A Enzyme inhibitors MERCK & CO., INC. (US) 1995-11-28 — — US disclosed