Sugi Predict

Sugi Predict / Compounds / SCHEMBL8724708

SCHEMBL8724708

SCHEMBL8724708

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 1/20 0.60
▸ SRD5A2 P31213 1/20 0.60

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
SCHEMBL8724712 1.00 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8904214 0.89 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8721483 0.89 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL8721491 0.89 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL8499924 0.88 SRD5A2 (0.58) SRD5A2
SCHEMBL8499926 0.88 SRD5A2 (0.58) SRD5A2
SCHEMBL8496129 0.88 SRD5A2 (0.58) SRD5A2
SCHEMBL8903618 0.87 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8903623 0.87 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8904146 0.87 SRD5A2 (0.57) SRD5A1SRD5A2

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-5710275-A ENZYME AND HORMONE INHIBITORS MERCK & CO., INC. (US) 1998-01-20 — — US disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 — — US disclosed
US-5639741-A STEROIDS TREATING SKIN DISORDERS MERCK & CO., INC. (US) 1997-06-17 — — US disclosed
EP-0778284-A2 New 7-beta-substituted-4-aza-5alpha-androstan-3-ones as 5alpha-reductase inhibitors MERCK & CO. INC. (US) 1997-06-11 — — EP disclosed