Sugi Predict

Sugi Predict / Compounds / SCHEMBL8914730

SCHEMBL8914730

SCHEMBL8914730

C[C@]12CCC(OC(=O)O)=CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(C(=O)NC(c3ccccc3)c3ccccc3)CC[C@@H]12

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 13/20 0.59
▸ SRD5A1 P18405 8/20 0.57

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
SCHEMBL8915167 0.96 SRD5A2 (0.55) SRD5A2SRD5A1
SCHEMBL8913496 0.92 SRD5A2 (0.52) SRD5A2SRD5A1
SCHEMBL8914653 0.89 SRD5A2 (0.49) SRD5A2SRD5A1
SCHEMBL8631670 0.88 SRD5A2 (0.61) SRD5A2SRD5A1
SCHEMBL8915261 0.87 SRD5A2 (0.70) SRD5A2SRD5A1
SCHEMBL8630348 0.87 SRD5A2 (0.70) SRD5A2SRD5A1
SCHEMBL8636576 0.85 SRD5A2 (0.59) SRD5A2SRD5A1
SCHEMBL8913873 0.85 SRD5A2 (0.59) SRD5A2SRD5A1
SCHEMBL8914483 0.84 SRD5A2 (0.61) SRD5A2SRD5A1
SCHEMBL8914630 0.84 SRD5A2 (0.65) 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
EP-0567271-B1 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO CO (JP) 1997-07-02 — — EP claimed