Sugi Predict

Sugi Predict / Compounds / SCHEMBL8926800

SCHEMBL8926800

SCHEMBL8926800

C[C@H]1C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1OCC(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 5/20 0.50
▸ SRD5A2 P31213 2/20 0.50

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
SCHEMBL8925148 0.85 SRD5A2 (0.54) SRD5A1SRD5A2
SCHEMBL8926427 0.84 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8925093 0.81 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8925449 0.81 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL8726873 0.80 SRD5A1 (0.57) SRD5A1SRD5A2
SCHEMBL8726876 0.80 SRD5A1 (0.57) SRD5A1SRD5A2
SCHEMBL8926809 0.80 SRD5A1 (0.37) SRD5A1SRD5A2
SCHEMBL8926950 0.80 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8722238 0.79 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8722241 0.79 SRD5A1 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 — — US disclosed