Sugi Predict

Sugi Predict / Compounds / SCHEMBL5069350

SCHEMBL5069350

SCHEMBL5069350

COc1cccc(C=C2C[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]3(C)C=CC(=O)N(C)[C@H]23)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 14/20 0.52
▸ KCNH2 Q12809 11/20 0.52
▸ LMNA P02545 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SRD5A1 P18405 1/20 0.40

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
SCHEMBL5069356 1.00 AR (0.52) ARKCNH2LMNAHSD17B10SRD5A1
SCHEMBL5070306 1.00 AR (0.52) ARKCNH2LMNAHSD17B10SRD5A1
SCHEMBL5070996 0.92 AR (0.53) ARKCNH2LMNA
SCHEMBL5070993 0.92 AR (0.53) ARKCNH2LMNA
SCHEMBL5070995 0.92 AR (0.53) ARKCNH2LMNA
SCHEMBL5069401 0.91 AR (0.51) ARKCNH2
SCHEMBL5069398 0.91 AR (0.51) ARKCNH2
SCHEMBL5073752 0.90 AR (0.64) ARKCNH2
SCHEMBL5073749 0.90 AR (0.64) ARKCNH2
SCHEMBL5070935 0.90 AR (0.64) ARKCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467739-A4 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2008-01-09 — — EP claimed
EP-1467739-A2 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-10-20 — — EP claimed
WO-2003059293-A2 17-HYDROXY-4-AZA-ANDROSTAN-3-ONES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-07-24 — — WO claimed