Sugi Predict

Sugi Predict / Compounds / SCHEMBL8523816

SCHEMBL8523816

SCHEMBL8523816

CC1C[C@H]2[C@@H]3CC(O)C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.37
▸ SRD5A1 P18405 1/20 0.36

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
SCHEMBL7905878 0.81 SRD5A1 (0.55) SRD5A2SRD5A1
SCHEMBL916468 0.73 SRD5A1 (0.54) SRD5A2SRD5A1
SCHEMBL8523823 0.69 AR (0.38) —
SCHEMBL7903642 0.68 SRD5A1 (0.54) SRD5A2SRD5A1
SCHEMBL8996729 0.67 SRD5A1 (0.34) SRD5A2SRD5A1
SCHEMBL916288 0.67 SRD5A1 (0.52) SRD5A2SRD5A1
SCHEMBL915553 0.67 SRD5A1 (0.53) SRD5A2SRD5A1
SCHEMBL7903628 0.66 — —
SCHEMBL8925171 0.65 SRD5A1 (0.54) SRD5A2SRD5A1
SCHEMBL17340861 0.65 NR1I3 (0.40) —

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-0786999-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1999-01-20 — — EP claimed
EP-0786999-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-08-06 — — EP claimed
EP-0724592-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO. INC. (US) 1996-08-07 — — EP claimed
WO-1996012487-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 — — WO claimed
WO-1995011254-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO., INC. (US) 1995-04-27 — — WO claimed