Sugi Predict

Sugi Predict / Compounds / SCHEMBL8903236

SCHEMBL8903236

SCHEMBL8903236

CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(CNC(=O)c5c(Cl)cccc5Cl)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 2/20 0.51
▸ SRD5A2 P31213 2/20 0.51

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
SCHEMBL8497735 1.00 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL8495941 0.86 SRD5A1 (0.62) SRD5A1SRD5A2
SCHEMBL8499188 0.86 SRD5A1 (0.62) SRD5A1SRD5A2
SCHEMBL8495947 0.86 SRD5A1 (0.62) SRD5A1SRD5A2
SCHEMBL8071797 0.86 SRD5A1 (0.47) SRD5A1SRD5A2
SCHEMBL8071800 0.86 SRD5A1 (0.47) SRD5A1SRD5A2
SCHEMBL8498028 0.85 SRD5A1 (0.50) SRD5A1SRD5A2
SCHEMBL8498030 0.85 SRD5A1 (0.50) SRD5A1SRD5A2
SCHEMBL8499353 0.84 AR (0.57) SRD5A2
SCHEMBL8905357 0.84 AR (0.57) SRD5A2

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-5639741-A STEROIDS TREATING SKIN DISORDERS MERCK & CO., INC. (US) 1997-06-17 — — US claimed