Sugi Predict

Sugi Predict / Compounds / SCHEMBL7624008

SCHEMBL7624008

SCHEMBL7624008

COC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.70
▸ SRD5A2 P31213 1/20 0.66
▸ KCNH2 Q12809 4/20 0.62

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
SCHEMBL4458131 1.00 AR (0.70) ARSRD5A2KCNH2
SCHEMBL14493967 1.00 AR (0.70) ARSRD5A2KCNH2
SCHEMBL4458128 1.00 AR (0.70) ARSRD5A2KCNH2
SCHEMBL13465160 1.00 AR (0.70) ARSRD5A2KCNH2
SCHEMBL8410044 1.00 AR (0.70) ARSRD5A2KCNH2
SCHEMBL5242813 0.89 AR (0.55) ARSRD5A2KCNH2
SCHEMBL5341211 0.89 AR (0.55) ARSRD5A2KCNH2
SCHEMBL797639 0.89 AR (0.54) ARSRD5A2KCNH2
SCHEMBL5874196 0.88 AR (0.74) ARSRD5A2KCNH2
SCHEMBL5116733 0.88 AR (0.74) ARSRD5A2KCNH2

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-6432971-B2 Method of prevention of prostatic carcinoma with 17β-N-monosubstituted-carbamoyl-4-aza-5α-androst-1-en-3-ones MERCK & CO., INC. 2002-08-13 — — US disclosed