Sugi Predict

Sugi Predict / Compounds / SCHEMBL8092290

SCHEMBL8092290

SCHEMBL8092290

C[C@H]1C[C@H]2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](c4ccc(S(C)(=O)=O)cc4)CC[C@H]3[C@H]12

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 9/20 0.52
▸ SRD5A2 P31213 8/20 0.52

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
SCHEMBL8092202 1.00 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8092200 1.00 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8090913 0.87 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL8090915 0.87 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL8083904 0.87 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8083900 0.87 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8092348 0.85 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8092618 0.85 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8092620 0.85 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8084121 0.81 SRD5A1 (0.54) 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
EP-0756481-B1 17$g(b)-ARYL-4-AZA-STEROID DERIVATIVES MERCK & CO INC (US) 2000-12-27 — — EP claimed