Sugi Predict

Sugi Predict / Compounds / SCHEMBL8925564

SCHEMBL8925564

SCHEMBL8925564

CN1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4OCC(=O)O)C3CCC12.CN1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4OCC(N)=O)C3CC[C@@H]12

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 1/20 0.56
▸ SRD5A2 P31213 1/20 0.56

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
SCHEMBL8075156 0.96 SRD5A1 (0.59) SRD5A1SRD5A2
SCHEMBL8073316 0.95 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8073218 0.83 SRD5A1 (0.59) SRD5A1SRD5A2
SCHEMBL8823399 0.82 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL9237910 0.82 SRD5A1 (0.44) SRD5A1SRD5A2
SCHEMBL8073690 0.81 SRD5A1 (0.63) SRD5A1SRD5A2
SCHEMBL8073688 0.81 SRD5A1 (0.63) SRD5A1SRD5A2
SCHEMBL7612135 0.80 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL7612140 0.80 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8073856 0.80 SRD5A1 (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 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