Sugi Predict

Sugi Predict / Compounds / SCHEMBL8925148

SCHEMBL8925148

SCHEMBL8925148

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)NC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.54
▸ SRD5A1 P18405 1/20 0.49

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
SCHEMBL8926427 0.87 SRD5A1 (0.52) SRD5A2SRD5A1
SCHEMBL8926800 0.85 SRD5A1 (0.50) SRD5A2SRD5A1
SCHEMBL8925093 0.84 SRD5A1 (0.52) SRD5A2SRD5A1
SCHEMBL8925438 0.82 SRD5A1 (0.52) SRD5A2SRD5A1
SCHEMBL8926919 0.80 SRD5A1 (0.53) SRD5A2SRD5A1
SCHEMBL8926914 0.80 SRD5A1 (0.53) SRD5A2SRD5A1
SCHEMBL8926910 0.80 SRD5A2 (0.55) SRD5A2
SCHEMBL8926915 0.80 SRD5A2 (0.55) SRD5A2
SCHEMBL8927151 0.78 SRD5A2 (0.53) SRD5A2
SCHEMBL8927230 0.78 SRD5A2 (0.53) SRD5A2SRD5A1

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