Sugi Predict

Sugi Predict / Compounds / SCHEMBL8019140

SCHEMBL8019140

SCHEMBL8019140

CC[C@H]1C[C@H]2NC(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](C(=O)Oc4cccc(OC)c4)CC[C@H]3[C@H]12

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 14/20 0.54
▸ SRD5A2 P31213 9/20 0.45

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
SCHEMBL8017180 0.93 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL8017214 0.88 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL8007033 0.83 SRD5A1 (0.75) SRD5A1SRD5A2
SCHEMBL8019143 0.80 SRD5A1 (0.46) SRD5A1SRD5A2
SCHEMBL7616838 0.77 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL7616829 0.77 SRD5A1 (0.53) SRD5A1SRD5A2
SCHEMBL7618813 0.77 SRD5A1 (0.47) SRD5A1SRD5A2
SCHEMBL7618810 0.77 SRD5A1 (0.47) SRD5A1SRD5A2
SCHEMBL8477548 0.77 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL8477552 0.77 SRD5A1 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664812-B1 17-BETA-ARYL ESTER CARBOXYLATES OF 4-AZA-5-ALPHA-ANDROSTANE-3-ONES MERCK & CO INC (US) 2000-01-05 — — EP disclosed
US-5278159-A Steroid enzyme inhibitor MERCK & CO., INC. (US) 1994-01-11 — — US disclosed