Sugi Predict

Sugi Predict / Compounds / SCHEMBL8611352

SCHEMBL8611352

SCHEMBL8611352

C[C@]12CC[C@H]3[C@@H](CNC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)OC1C2CC3CC(C2)CC1C3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 20/20 1.00
▸ HSD3B1 P14060 1/20 1.00
▸ SRD5A1 P18405 1/20 1.00

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
SCHEMBL8616254 0.86 SRD5A2 (1.00) SRD5A2HSD3B1SRD5A1
SCHEMBL8616250 0.86 SRD5A2 (1.00) SRD5A2HSD3B1SRD5A1
SCHEMBL8612896 0.85 SRD5A2 (0.76) SRD5A2HSD3B1SRD5A1
SCHEMBL12606608 0.82 SRD5A2 (0.80) SRD5A2
SCHEMBL12651156 0.82 SRD5A2 (0.80) SRD5A2
SCHEMBL9159638 0.82 SRD5A2 (0.80) SRD5A2
SCHEMBL19544537 0.82 SRD5A2 (0.80) SRD5A2HSD3B1SRD5A1
SCHEMBL8528571 0.81 SRD5A2 (0.68) SRD5A2HSD3B1SRD5A1
SCHEMBL19544512 0.81 SRD5A2 (0.79) SRD5A2HSD3B1SRD5A1
SCHEMBL8610454 0.79 SRD5A2 (1.00) SRD5A2HSD3B1SRD5A1

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-0641356-B1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO WELLCOME INC (US) 1998-04-22 — — EP claimed
WO-1993013124-A1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO INC. (US) 1993-07-08 — — WO claimed
EP-0641356-B1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO WELLCOME INC (US) 1998-04-22 — — EP disclosed
US-5543406-A TREATING ANDROGEN RESPONSIVE OR MEDIATED DISEASE GLAXO WELLCOME, INC. (US) 1996-08-06 — — US disclosed
WO-1993013124-A1 INHIBITORS OF 5-ALPHA-TESTOSTERONE REDUCTASE GLAXO INC. (US) 1993-07-08 — — WO disclosed